Perfluoroethyl valerate

Perfluoro ethyl valerate structural formula

Perfluoro ethyl valerate structural formula

Structural formula

Business number 04SE
Molecular formula C7H5O2F9
Molecular weight 292.13
label

Perfluoroethyl valerate,

ETHYL NONAFLUOROPENTANOATE,

ETHYL NONAFLUOROVALERATE,

ETHYL PERFLUOROPENTANOATE,

ETHYL PERFLUOROVALERATE,

NONAFLUOROVALERIC ACID ETHYL ESTER,

PERFLUOROVALERIC ACID ETHYL ESTER,

Ethyl perfluoropentanoate 98%,

Ethylperfluoropentanoate98%

Numbering system

CAS number:424-36-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): Not available


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC): Not available


Boiling point (ºC , normal pressure): 121


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: Not available


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of the (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Solubility:Not available

Toxicological data

Two , Toxicological data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1 Molar refractive index:37.59


2 Molar volumem3/mol)196.7


3 Isotonic specific volume (90.2K):401.3


4 Surface tensiondyne/cm)17.2


5 Polarizability(10-24cm314.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 11

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 319

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate  Ester structural formula

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate  Ester structural formula

Structural formula

Business number 05U1
Molecular formula C9H11F3O4
Molecular weight 240.18
label

Ethoxy-2-methylenetrifluoroacetoacetate,

Medicine

Numbering system

CAS number:571-55-1

MDL number:MFCD02677683

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24867645

Physical property data

1. Physical property data


1. Density (g/mL ,25/4℃):1.235


2. Flashpoint ():104


3. Boiling point (ºC,1mmHg ): 80-82

Toxicological data

None

Ecological data

None

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 47.65


2. Molar volume (m3/mol):193.8


3. isotonic specific volume (90.2K):446.6


4. Surface Tension (dyne/cm):28.1


5. Polarizability10-24cm3):18.89

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameters Calculate reference value (XlogP):3.5


2. Hydrogen Bonding Number of donors: 1


3. Hydrogen Bonding Number of receptors: 2


4. Rotatable Number of chemical bonds: 4


5. Topological molecules Polar surface area (TPSA):37.3


6. Heavy atoms Quantity: 15


7. Surface charge :0


8. Complexity :203


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:0


11. Uncertain number of atomic stereocenters:1


12. Determine the number of stereocenters of chemical bonds:0


13. Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

alpha-naphthoflavone

α-naphthoflavone structural formula

α-naphthoflavone structural formula

Structural formula

Business number 068C
Molecular formula C19H12O2
Molecular weight 272.30
label

7,8-benzoflavonoids,

benzoxanthin,

7,8-Benzoflavone

Numbering system

CAS number:604-59-1

MDL number:MFCD00004985

EINECS number:210-071-1

RTECS number:QL6250000

BRN number:210862

PubChem number:24897748

Physical property data

Physical property data:
1. Character: Yellow flake or needle crystal

2. Melting point ():167


3. Solubility:Soluble in alcohol and concentrated sulfuric acid, the solution shows slight green fluorescence.

Toxicological data

None

Ecological data

3. Ecological data:


1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data


5. Molecular property data:


1, Molar refractive index:82.04


2, Molar volume (m3/mol):213.3


3, Isotonic specific volume (90.2K):580.6


4, Surface tension (dyne/cm):54.8


5, Polarizability (10-24cm3 ):32.52

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 433

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Properties and stability:


No decomposition products may occur under normal temperatures and pressures.

Storage method

1. Storage


Storage temperature2-8.


Synthesis method

2. Introduction to production methods


Will2gChalcones are soluble in120mlEthanol, heated to boiling, mixed with hydrochloric acid and refluxed24h. The residue is filtered off while hot, and the filtrate is cooled and crystallized to obtain flavanones. Then add bromineAdd flavanones to the carbon disulfide solution , benzoflavonoids are produced.

Purpose

3. Purpose


Used as a redox indicator.

Citrulline

Citrulline Structural Formula

Citrulline Structural Formula

Structural formula

Business number 04JE
Molecular formula C6H13N3O3
Molecular weight 175.19
label

(S)-2-Amino-5-ureidopentanoic acid,

carbamoylornithine,

(S)-2-Amino-5-ureidopentanoic acid,

a-Amino- δ-uridovaleric acid,

L-Citrulline,

Alicyclic compounds,

amino acids,

intermediates,

Biochemical reagents

Numbering system

CAS number:372-75-8

MDL number:MFCD00064397

EINECS number:206-759-6

RTECS number:None

BRN number:1725416

PubChem number:24892975

Physical property data

1. Properties: white crystal. Bitter taste.

2. Solubility: soluble in water, insoluble in methanol and ethanol

3. Melting point (ºC) 222

4. Relative density (d204) :1.289

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 42.06

2. Molar volume (cm3/mol): 135.8

3. Isotonic specific volume (90.2K ): 381.1

4. Surface tension (dyne/cm): 61.9

5. Polarizability (10-24cm3): 16.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecule polar surface area 118

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 171

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Citrulline is the same as ornithine. It only exists in the liver and is not a component of protein. It is an important intermediate in the human body’s urea cycle.

2. Found in tobacco leaves.

Storage method

Stored in a cool, dry place and sealed.

Synthesis method��

1. An amino acid isolated from watermelon juice for the first time. Obtained from alkaline hydrolysis of arginine.

Purpose

Amino acid drugs. Can be used in combination with ornithine, arginine, etc. to treat hyperammonemia

Methyl undecafluorohexanoate

Structural formula of methyl undecafluorohexanoate

Structural formula of methyl undecafluorohexanoate

Structural formula

Business number 04SD
Molecular formula C7H3O2F11
Molecular weight 328.08
label

Methyl undecafluorohexanoate,

METHYL UNDECAFLUOROHEXANOATE,

METHYL PERFLUOROHEXANOATE,

Methyl perfluorohexanoate 98%,

Methylperfluorohexanoate98%,

Perfluorohexanoic Acid Methyl Ester,

Undecafluorohexanoic Acid Methyl Ester

Numbering system

CAS number:424-18-0

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): 1.579


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC): Not available


Boiling point (ºC, normal pressure): 121


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: 1.3039


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of the (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Dissolve Properties: Not available

Toxicological data

2. Poison Physics data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1 Molar refractive index:37.88


2 Molar volumem3/mol)207.7


3, Isotonic specific volume (90.2K):415.4


4 Surface tensiondyne/cm)15.9


5 Polarizability(10-24cm315.01

Calculate chemical numbers�

1. Reference value for hydrophobic parameter calculation (XlogP): 3.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 13

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 383

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

2-Bromohexanoic acid

2-bromohexanoic acid structural formula

2-bromohexanoic acid structural formula

Structural formula

Business number 06H0
Molecular formula C6H11BrO2
Molecular weight 195.06
label

DL-2-bromohexanoic acid,

2-Bromocaproic acid,

CH3(CH2)3CHBrCOOH

Numbering system

CAS number:616-05-7

MDL number:MFCD00004218

EINECS number:210-461-1

RTECS number:None

BRN number:1721762

PubChem number:24854586

Physical property data

Physical property data:
1. Character: colorless liquid

2. Density ( g/mL ,25/4℃):1.370


3. Refractive index (nD20):1.4720


4. Melting point (): 4


5. Boiling point (ºC): 240,128-1362.61kPa )


6. Solubility:��Soluble in alcohol and ether

Toxicological data

None

Ecological data

3. Ecological data:


1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data


5. Molecular property data:


1, Molar refractive index:39.10


2, Molar volume (m3/mol):135.7


3, Isotonic specific volume (90.2K ):342.1


4, Surface tension (dyne/ cm):40.3


5 Polarizability (10-24cm3): 15.50

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameter calculation reference value (XlogP ): 2.4


2. Number of hydrogen bond donors:1


3. Number of hydrogen bond acceptors: 2


4. Number of rotatable chemical bonds:4


5. Topological molecule polar surface area (TPSA ): 37.3


6. Number of heavy atoms:9


7. Surface charge: 0


8. Complexity:93.1


9. Isotope atoms Quantity: 0


10. Determine the number of atomic stereocenters :0


11. Not sure Number of atomic stereocenters:1


12. Determine chemical bonds Number of stereocenters:0


13. Not sure Number of stereocenters of chemical bonds:0


14. Covalent Number of key units:1

Properties and stability

Properties and stability:


No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

1. Introduction to production methods


First mix dry bromine and newly steamed n-hexanoic acid, carefully add phosphorus trichloride, and heat to 65-70, the reaction releases a large amount of hydrogen bromide,5-6h ; mso-ascii-font-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman'”>and then warm it up to 100. The obtained product is distilled under reduced pressure and collected132-1402kPa) fraction to obtain the product2-Bromohexanoic acid, yield83-89%.

Purpose

2. Purpose


Organic synthesis intermediates.

barium carbonate

Barium carbonate structural formula

Barium carbonate structural formula

Structural formula

Business number 05AW
Molecular formula BaCO3
Molecular weight 197.34
label

Precipitated barium carbonate,

poison heavy stone,

Barium carbonate precipitated,

high purity compounds,

water clarifier,

Magnetic material raw materials and intermediates

Numbering system

CAS number:513-77-9

MDL number:MFCD00003448

EINECS number:208-167-3

RTECS number:CQ8600000

BRN number:7045119

PubChem number:24852112

Physical property data

1. Appearance: white orthorhombic crystal or powder [1]

2. Melting point (℃): 811[2]

3. Boiling point (℃): 1300 (decomposition) [3]

4. Relative density (water = 1): 4.43[4]

5. Octanol/water partition coefficient: -1.32[5]

6. Solubility: insoluble in water, insoluble in Sulfuric acid, soluble in dilute hydrochloric acid, nitric acid, ammonium chloride solution, ether, and chloroform. [6]

Toxicological data

1. Acute toxicity[7] LD50: 418mg/kg (oral in rats); 200mg/kg (oral in mice)

2. Irritation No data available

3. Subacute and chronic toxicity[8] Rat inhalation After taking barium carbonate dust for one month, blood pressure increased, the number of red blood cells and white blood cells changed, weight decreased, and reproductive toxicity and embryotoxicity occurred.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

Molecular structure data

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 63.2

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 18.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

1. Stability[9] Stable

2. Incompatible substances[10] Strong acid

3. Conditions to avoid contact[11] Humid air

4. Polymerization Hazards[12] Does not polymerize

5. Decomposition products[13] Barium oxide

Storage method

Storage Precautions[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Preparation method one: Carbonization method: carbon dioxide gas is passed through the barium sulfide solution (for preparation, see barium sulfide) to obtain a barium carbonate slurry that is desulfurized, washed, vacuum filtered, dried at 300°C, and pulverized to obtain the finished product of barium carbonate. . The reaction formula is as follows:
BaS+CO2+H2O→BaCO3↓+H2S↑
The metathesis method involves a metathesis reaction between barium sulfide and ammonium carbonate, and then washing, filtering, drying, etc., to obtain the finished product of bismuth carbonate. . The reaction formula is as follows:
BaS+(NH4)2CO3→BaCO3↓+(NH4)2S
The nepheline conversion method reacts nepheline ore powder with ammonium salt to generate soluble barium salt, and at the same time recovers ammonium carbonate. In use, soluble barium salt is added to ammonium carbonate to precipitate refined barium carbonate, which is filtered and dried to obtain finished barium carbonate. The obtained mother liquor is recovered and recycled.

Preparation method two: carbonization method. Reaction equation:
BaS+CO2→BaCO3↓+H2S↑
Operation method: React 1L aqueous solution containing 180g/L barium sulfide with carbon dioxide at 70°C to generate precipitated barium carbonate. The precipitation is mixed with 10 ml of 25% ammonia water and desulfurized at 60°C for 20 minutes. After filtration and drying, precipitated barium carbonate is obtained, and the product contains 0.46% sulfur.
Metathesis method. Reaction equation:
BaCl2+NH4HCO3+NH4OH→BaCO3↓+2NH4Cl+H2O
Operation method: At 30°C, mix 23.6L aqueous solution containing 56.1g/L ammonium bicarbonate and 1.36L ammonia water in a 50L kettle Mix at 50℃, then add 21.6L of 200.3g/L barium chloride solution dropwise at 50℃ within 2h, and stir at 40℃ for 30min. Filter, dry at 140°C, and pulverize to obtain barium carbonate with an average particle size d of 0.8 μm and a purity of 99.8%.
Poison heavy stone method. Reaction equation:
BaCO3+2NH4Cl→BaCl2+2NH3+H2O+CO2
BaCL2+(NH4)2CO3→BaCO3↓+2NH4Cl
Operation method: 100g of 80% toxic barite powder (120 mesh ) and 60g of ammonium chloride, mix evenly, and quickly put it into a 650°C muffle furnace to react for 3 minutes. After cooling, soak in water, filter, and remove residue to obtain a barium chloride solution. Add 36g of ammonium carbonate to precipitate barium carbonate, filter, dry, and pulverize. The conversion rate is 91%.

Preparation method three: dry granulation. Sieve the heavy precipitated barium carbonate and place it in the raw material bin for full stirring, mixing and degassing. The material passes through the rotary feeder and horizontal and vertical screw conveyor. Enter the roller press to roll the tablets, and the thickness of the tablets is 3.7~4 mm. The material rolled into sheets is fed into the granulator, and the particle size distribution of the semi-finished product is adjusted by adjusting its rotation speed and the size of the sieve plate openings. The semi-finished products use the scraper pulse pneumatic conveying method to feed the semi-finished products to the vibrating screen through the feeder for screening. The particles above 20 mesh are sent back to the granulator, and the particles below 65 mesh are sent back to the raw material warehouse, between 65 mesh and 20 mesh. The granules are transported to the finished product packaging warehouse for packaging, and granular barium carbonate is produced.
In the production process of wet granulated barium carbonate, the water-containing filter cake is filtered and separated by the sedimentation system, and the moisture content of the filter cake is controlled to be about 20%. Under the action of the rotating blades, the materials are quickly mixed evenly, kneaded, and kneaded to form dense particles. The wet particles are put into the direct-fired rotary kiln and sintered at 800 to 1200°C. After granulation, screening, iron removal, metering and packaging, granular barium carbonate is obtained.

Purpose

1. Mainly used for the production of PTC thermal electronic components, manufacturing chip components, semiconductor capacitors, etc.

2. Analyze iron in calcium, magnesium, manganese and zinc, and measure halogen in organic matter. It is used to make barium salts, pigments, fireworks and flares, optical glass, rodenticide, pottery, porcelain, and as fillers and water clarifiers.

3. Used as raw materials in the electronics industry for the preparation of capacitors, PTC electronic components, positive temperature coefficient thermistors, etc.

4. Used as analytical reagents, preparation of fireworks and signal bomb fuels, and auxiliary materials for ceramic coatings and optical glass.

5. Used to treat excess sulfate in chromium plating electrolyte, also used in the white passivation solution of zinc plating layer, and can also be used to treat chromium-containing wastewater.

6. Used as analytical reagents, water purifiers, rodenticides and barium salts. It is also used in the electronics industry, instrumentation and metallurgical industries. [15]

Methyl triflate

Methyl triflate structural formula

Methyl triflate structural formula

Structural formula

Business number 049H
Molecular formula C2H3F3O3S
Molecular weight 164.10
label

Methyl trifluoromethanesulfonate,

Methyl triflate,

Methyl trifluoromethanesulfonate,

Methyl trifluoromethanesulfonic acid,

Methanesulfonicacid,trifluoro-,methylester,

methyltrifluoromethanesulfinate,

trifluoromethane-sulfinicacid,methylester,

trifluoro-methanesulfonicacimethylester,

METHYL TRIFLUOROMETHANESULPHONATE,

METHYL TRIFLUOROMETHANESULFONATE,

METHYL TRIFLATE,

TRIFLUOROMETHAN

Numbering system

CAS number:333-27-7

MDL number:MFCD00000409

EINECS number:206-371-7

RTECS number:None

BRN number:774772

PubChem ID:None

Physical property data

一 , physical property data


Traits :Colorless to transparent yellow liquid


Density (g/mL,25/4): 1.45


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC):Not available


Boiling point (ºC, normal pressure): 95


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: 1.326


Flash Point (ºC): 101℉


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of the (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 22.22


2. Molar Volume (m3/mol):105.3


3. isotonic specific volume (90.2K):238.1


4. Surface tension (dyne/cm) :26.1


5. Polarizability(10-24cm3): 8.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 51.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 172

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Store at 0-6℃.

Synthesis method

None

Purpose

None

Cholestane

Cholestane structural formula

Structural formula

Business number 0526
Molecular formula C27H48
Molecular weight 376.28
label

None

Numbering system

CAS number:481-21-0

MDL number:MFCD00066412

EINECS number:207-562-8

RTECS number:None

BRN number:2051806

PubChem ID:None

Physical property data

1. Characteristics: Undetermined

2. Density (g/ m3, 25/4℃): Undetermined

3. Relative Vapor density (g/cm3, air=1): Undetermined

4. Melting point (ºC): 78-80

5. Boiling point ( ºC, normal pressure): 250

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol ): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V ): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 118.76

2. Molar volume (cm3/mol): 409.1

3. Isotonic specific volume (90.2K ): 972.0

4. Surface tension (dyne/cm): 31.8

5. Polarizability (10-24cm3): 47.08

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 11.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 0

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 506

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

12��� The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Seal and store in a ventilated, dry place to avoid contact with other oxides.

Synthesis method

1. Preparation method:

In a reaction bottle equipped with a stirrer, thermometer, ventilation duct, and reflux condenser (installed with a calcium chloride drying tube), add 250 mL of anhydrous ether, cool to -10~-15°C, and slowly pass in hydrogen chloride for about 45 minutes. Then, 10 g (0.0216 mol) of cholestanone (2) was added at -15°C. Then cool the reaction mixture to -20°C, and add 12.3g (0.19mol) active zinc within 2 to 3 minutes. Slowly raise the temperature to -5°C, stir and react at -5~0°C for 2 hours. Then cool to -15°C, slowly pour the reactant into 130g of crushed ice, and stir thoroughly. The organic layer was separated, and the aqueous layer was extracted with diethyl ether. The ether solutions were combined, washed with saturated sodium chloride, and dried over anhydrous sodium sulfate. Evaporate the ether to obtain a colorless liquid, which solidifies after cooling. Dissolve the solid in 30 to 40 mL of n-hexane, pass it through a silica gel column, and elute with n-hexane. N-hexane was evaporated under reduced pressure to obtain 8 to 8.2 g of cholestane (1), with a yield of 82% to 84%. Recrystallize with ethanol-diethyl ether to obtain 7.3-7.5g of flaky crystals, mp78~79°C. Note: ① Active zinc can be prepared as follows: Soak 16g of zinc powder that has passed through a 300 mesh sieve in 100mL of 2% hydrochloric acid for about 4 minutes until the surface of the zinc powder shines. Pour off the dilute hydrochloric acid and wash 4 times with distilled water. Filter, wash thoroughly with water, and then wash with ethanol, acetone, and ether in sequence. Then vacuum drying at 85-90°C to obtain 13-14g of active zinc, which was immediately used in the reaction. [1]

Purpose

None yet

2-Ethylhexylmethacrylate

2-ethylhexyl methacrylate structural formula

2-ethylhexyl methacrylate structural formula

Structural formula

Business number 079B
Molecular formula C12H22O2
Molecular weight 198.30
label

2-ethylhexyl methacrylate,

Methacrylic Acid 2-Ethylhexyl Ester,

Methacrylic Acid Octyl Ester,

Octyl Methacrylate,

CH2=C(CH3)COOCH2CH(C2H5)(CH2)3CH3,

aliphatic compounds

Numbering system

CAS number:688-84-6

MDL number:MFCD00009494

EINECS number:211-708-6

RTECS number:OZ4630000

BRN number:1769420

PubChem number:24882662

Physical property data

1. Characteristics: colorless liquid.


2. Density (g/mL,25/4): 0.885


3. Relative vapor density (g/mL,AIR=1): 6.9


4. Melting point (ºC): -50


5. Boiling point (ºC,Normal pressure): 218


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: 1.438


8 . Flashpoint (ºC): 92


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Not soluble in water.

Toxicological data

, acute toxicity: mice ( peritoneum) LD50: 2,614 mg/kg
Dog (oral)LD50 3,250 mg/kg

Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data


1. Molar refractive index: 58.94


2. Molar volumem3/mol225.3


3. isotonic ratio90.2K516.8


4. Surface Tensiondyne/cm27.6


5. Dielectric constant:


6. Dipole moment10-24cm3


7. Polarizability: 23.36


Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP): 4.5


2. Hydrogen Bonding Number of donors: 0


3. Hydrogen Bonding Number of receptors: 2


4. Rotatable Number of chemical bonds: 8


5. Topological molecular polar surface area (TPSA): 26.3


6. Heavy atoms Quantity: 14


7. Surface charge :0


8. Complexity :185


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:0


11. Uncertain number of atomic stereocenters:0


12. Determine the number of chemical bond stereocenters:0


13. Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, acids, alkalis, light, and heat.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Never store together with acidic substances and alkali metals. Keep away from light.

Synthesis method

None

Purpose

None

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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