N,N-diethyl acetamide

N,N-diethyl acetamide structural formula

N,N-diethyl acetamide structural formula

Structural formula

Business number 0790
Molecular formula C6H13NO
Molecular weight 115.17
label

N,N-diethylamide,

N-Acetyldiethylamine,

Acetic acid diethylamide,

CH3CON(C2H5)2,

aliphatic compounds

Numbering system

CAS number:685-91-6

MDL number:MFCD00009047

EINECS number:211-685-2

RTECS number:AB7000000

BRN number:1209428

PubChem number:24848334

Physical property data

1. Characteristics: colorless liquid.


2. Density (g/mL,25/4): 0.925


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


4. Melting point (ºC): 182-186


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


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


7. Refractive index: 1.440


8. Flash point (ºC ): 76


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: Undetermined .

Toxicological data

1, acute toxicity: Rat (peritoneal) LD50: 1,840 mg/kg;
Rat (vein)LD50 1 mg/kg
Rat (not reported) LD50: 1,500 mg/kg
Mouse (peritoneal) LD50: 1,600 mg/kg
Dog (intravenous) LDLo: 1mg/kg
Cat (vein)LDLo 1mg/kg
Rabbit (vein)LDLo : 1,920 mg/kg
                   bsp; Chicken (intravenous)LDLo 3,900 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

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data


1. Molar refractive index: 33.59


2. Molar volumem3/ mol131.9


3. isotonic ratio90.2K301.6


4. Surface Tensiondyne/cm27.3


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability: 13.31


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: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 76.6

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

Stay away from oxides .

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

Pharmaceutical intermediates.

2-Fluoro-4-methoxybenzaldehyde

2-fluoro-4-methoxybenzaldehyde structural formula

2-fluoro-4-methoxybenzaldehyde structural formula

Structural formula

Business number 0497
Molecular formula C8H7FO2
Molecular weight 154.14
label

2-Fluoro-4-methoxybenzaldehyde,

2-fluor0-4-methoxybenzaldehyde,

2-FLUORO-4-METHOXYBENZALDEHYDE,

2-FLUORO-P-ANISALDEHYDE,

2-Fluoro-4-methoxybenzaldehyde 97%,

2-FLUORO-4-METHYLOXYBENZALDEHYDE,

2-Fluoro-4-methoxybenzaldehyde97%,

2-FLUORO-4-METHYOXYBENZALDEHYDE,

2-Fluor-4-methoxybenzaldehyde

Numbering system

CAS number:331-64-6

MDL number:MFCD00236679

EINECS number:None

RTECS number:None

BRN number:3237954

PubChem number:24877633

Physical property data

一 , physical property data


Traits :White crystal


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


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


Melting point (ºC): 46


Boiling point (ºC, normal pressure):Not available


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: 39.67


2. Molar volume (m3/mol):129.3


3. isotonic specific volume (90.2K):316.1


4. Surface tension (dyne/cm): 35.7


5. Polarizability10-24cm3):15.72

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 138

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

m-fluorophenol

m-fluorophenol structural formula

m-fluorophenol structural formula

Structural formula

Business number 04J4
Molecular formula C6H5FO
Molecular weight 112.10
label

3-Fluorophenol,

3-Fluorphenol,

FC6H4OH,

aromatic fluoride

Numbering system

CAS number:372-20-3

MDL number:MFCD00002254

EINECS number:206-748-6

RTECS number:None

BRN number:1904536

PubChem number:24870819

Physical property data

一 , physical property data


Traits :Yellow brown liquid


Density (g/mL,25/4): 1.236


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


Melting point (ºC): 14


Boiling point (ºC, normal pressure): 178


Boiling point (ºC, 5.2kPa): Not available


Refractive index: 1.5140


Flash Point (ºC): 71


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: 28.12


2. Molar Volume (m3/mol):92.0


3. isotonic specific volume (90.2K):229.4


4. Surface Tension (dyne/cm):38.5


5. Polarizability10-24cm3): 11.15

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.9

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Intermediates for pharmaceuticals, pesticides and dyes.

acacetin

Acacetin structural formula

Acacetin structural formula

Structural formula

Business number 051X
Molecular formula C16H12O5
Molecular weight 284.27
label

5,7-Dihydroxy-4′-methoxyflavone

Numbering system

CAS number:480-44-4

MDL number:MFCD00016936

EINECS number:207-552-3

RTECS number:DJ3002000

BRN number:277879

PubChem number:24844959

Physical property data

1. Character:Yellow needle-like crystal


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


3. Relative vapor density (g/cm3,AIR=1): Undetermined


4. Melting point (ºC):260-265


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


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


7. Refractive index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


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


12. Saturation 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/Log value of water) partition coefficient: Undetermined


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


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


19. Solubility: Soluble in hot ethanol, insoluble in Ether, soluble in alkali and turns yellow.

Toxicological data

1 , acute toxicity: mice intravenouslyLD50: 933mg/kg, no details except lethal dose;


Unknown pathway of mouse meridianLD50: 933mg/kg, no details except lethal dose;


2, Reproductive toxicity: Rat DOSE Oral TDLo: Female pregnancy 1天后:500mg/kgSEX/DURATION, affecting preimplantation mortality;


3Mutation data: Microbial organisms TEST Systemic mutations: Bacteria Salmonella typhimurium:100 ug/plate

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1 Molar refractive index:74.64


2 Molar Volumem3/mol)200.1


3 Isotonic specific volume (90.2K):564.8


4 Surface tensiondyne/cm)63.4


5 Polarizability(10-24cm329.59

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 424

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

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

Storage method

Seal and store at 2-8°C in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

Exists in the leguminous plant Robinia(Robinia) [Robinia pseudoacacia L.] in the leaves and in the flower spikes of Bud-dleja officinalis Maxim (Bud-dleja officinalis Maxim).

Purpose

is a natural gum derivative, used in sensitive formulas to tighten and protect the skin. Wrinkle powder/Skin tightening and anti-wrinkle water plays a role in tightening the skin. Acacia is also an economic tree species, and its fragrant flowers can be used to refine aromatic oils as raw materials for high-end perfumes and other cosmetics. The fruit pods, bark and roots contain tannins, which can be used as black dye, and the resin flowing out of the stems contains gum, which is used medicinally. The material is hard and can be used to make valuable utensils.

Aluminum reagent

Aluminum reagent structural formula

Structural formula

Business number 05TT
Molecular formula C22H23N3O9
Molecular weight 473.44
label

Rose red ammonium tricarboxylate,

salicyl o-aminophenol,

Salicylaldehyde o-aminophenol acetate,

Golden red ammonium tricarboxylate,

Rose red ammonium trihydroxylate,

Ammonium aurin trihydroxyate,

Aluminum,

Ammonium aurintricarboxylate,

ATA,

Aurintricarboxylic acid ammonium salt,

indicator

Numbering system

CAS number:569-58-4

MDL number:MFCD00040925

EINECS number:209-319-1

RTECS number:GU4800000

BRN number:3900820

PubChem ID:None

Physical property data

1. Physical property data

1. Properties: Brick red crystalline powder. 2. Melting point (℃): 220~2253. Solubility: Easily soluble in water, slightly soluble in ethanol, almost insoluble in ether, acetone and chloroform.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

IV. Calculated chemical data:

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 9

4. Number of rotatable chemical bonds: 3

5. Topological molecular polar surface area (TPSA): 181

6. Number of heavy atoms: 34

7. Surface charge : 0

8. Complexity: 759

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 0

11. The number of uncertain atomic stereocenters: 1

12. The number of determined chemical bond stereocenters: 0

13. The number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 4

Properties and stability

Aqueous solutions are red and neutral, red-purple in alkaline media, and colorless in strong alkalis. With Al3+, Fe3+, In3+ lanthanide elements, UO22 + etc. form red or purple complexes.

Storage method

Keep sealed

Synthesis method

1. Add 10g (0.145mol) solid sodium nitrite in portions to 20ml of concentrated sulfuric acid, while controlling the addition speed so that onlyAmount of nitric oxide. When the solution is completely dissolved, add 20g (0.145mol) salicylic acid in portions while stirring. The whole process takes about 15 minutes. The mixture was then stirred at 20°C until all solids were dissolved and the viscous liquid was bright red to brown. Place the liquid in an ice bath and lower the temperature to 0°C. Slowly add 5ml (0.065mol) of 35-40% formaldehyde solution dropwise while stirring. The reaction temperature should not exceed 5°C. After the reaction is complete, add 100g of crushed ice. and 500ml ice water, stir until solid pieces form. Filter, wash with ice water several times, drain, dissolve in 1:2 (volume ratio) ammonia water, and filter with filter paper. The filtrate is evaporated to dryness on a steam bath. Approximately 19.22g of brown glassy solid was obtained. Yield 83-86%.

2.Mix salicylic acid and hydrochloric acid evenly, heat to 70℃ with constant stirring, slowly add formaldehyde, and control the temperature not to exceed 80℃ , after the addition, the temperature was raised to 95°C and kept for 8 hours. After the reaction was completed, it was cooled, poured into distilled water, and left to crystallize. The filtered crystals were washed with a large amount of distilled water and dried at 100°C. Mix the obtained methinesalicylic acid and salicylic acid evenly, and add to the nitrosyl sulfuric acid (sodium nitrite solid and 0°C concentrated sulfuric acid quickly) while stirring. Mixed), the temperature is controlled below 15°C. The reaction ends in 20 to 24 hours. The obtained crystals are washed with a large amount of distilled water, boiled with hot water until the crystals are loose, and then washed with distilled water until the washing liquid becomes neutral. Dissolve it with dilute ammonia water, decolorize it with activated carbon, add analytical grade hydrochloric acid to the filtrate, wash the precipitated crystals with water until they are qualified, and dry them to obtain the aluminum reagent. The reaction formula is:

3. Under rapid stirring, add solid sodium nitrite into concentrated sulfuric acid in batches, controlling the addition speed to avoid the production of red smoke. . After it is completely dissolved, add salicylic acid in small amounts in batches, control the temperature not to exceed 20°C, and stir until it is completely dissolved. The mixture will be light red to brown and viscous. Cool the temperature to 0°C, slowly add 37% formaldehyde solution with rapid stirring, and keep the temperature below 5°C. After the reaction is completed, add a large amount of ice-water mixture while stirring until the solid is dispersed. The solid obtained was washed with cold water several times, filtered with suction, dissolved in 1:2 dilute ammonia water, filtered to remove insoluble matter, and evaporated to dryness to obtain yellow ammonium salt. The reaction formula is:

Purpose

1. Complex titration indicator for determination of aluminum in water, food and tissues.

2. Test manganese, gallium and aluminum

3-Fluoro-4-methoxybenzonitrile

3-fluoro-4-methoxybenzonitrile structural formula

3-fluoro-4-methoxybenzonitrile structural formula

Structural formula

Business number 0496
Molecular formula C8H6FNO
Molecular weight 151.14
label

3-Fluoro-4-methoxybenzonitrile,

3-Fluoro-4-methoxybenzonitrile,

3-Fluoro-4-methoxybenzonitrile, 98+%,

3-FLUORO-4-METHOXYBENZONITRILE,

Fluoromethoxybenzonitrile5,

3-Fluoro-4-methoxybenzonitrile 98%,

3-Fluoro-4-methoxybenzonitrile98%,

4-FLUORO-3-METHOXYBENZONITRILE, 98+%,

4-Cyano-2-fluoroanisole

Numbering system

CAS number:331-62-4

MDL number:MFCD00215835

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): 98-100


Boiling point (ºC, normal pressure):96-98


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: Not available


Flash Point (ºC): 96-98


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: 37.79


2. Molar volume (m3/mol):127.3


3. isotonic specific volume (90.2K):318.9


4. Surface Tension (dyne/cm): 39.3


5. Polarizability10-24cm3):14.98

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 33

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 174

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

1,4-cyclohexanedione bis(ethylene acetal)

1,4-cyclohexanedione bis(ethylene acetal) structural formula

1,4-cyclohexanedione bis(ethylene acetal) structural formula

Structural formula

Business number 0404
Molecular formula C10H16O4
Molecular weight 200.23
label

None yet

Numbering system

CAS number:183-97-1

MDL number:MFCD00010851

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24857997

Physical property data

1. Melting point (ºC):79-80 °C(lit.)

2. Boiling point (ºC,Normal pressure):75-85 °C0.5 mm Hg(lit.)

3. Flashpoint (ºC):75-85°C/0.5mm

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Moore refraction Rate: 49.20

2. Molar Volume cm3/mol163.6

3. isotonic ratio 90.2K )415.9

4. Surface Tensiondyne/cm: 41.7

5. Dielectric Constants: None available

6. Dipole Distance10 -24cm3):Not available

7, Polarization Rate: 19.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 36.9

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 180

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

2-Methyl-3-nitroaniline

2-methyl-3-nitroaniline structural formula

2-methyl-3-nitroaniline structural formula

Structural formula

Business number 0684
Molecular formula C7H8N2O2
Molecular weight 152.15
label

2-amino-6-nitrophenol,

1-amino-2-methyl-3-nitrobenzene,

2-Amino-6-nitrotoluene,

3-Nitro-o-toluidine,

CH3C6H3(NO2)NH2

Numbering system

CAS number:603-83-8

MDL number:MFCD00007731

EINECS number:210-059-6

RTECS number:XU8200000

BRN number:388393

PubChem number:24869601

Physical property data

1. Physical property data


Boiling point: 305
Melting point: 87-91


Water solubility:<0.1 g/100 mL at 23°C

ToxicologyData

None yet

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:41.85


2, Molar volume (m3/mol):119.8


3, Isotonic specific volume (90.2K): 326.2


4, Surface tension (dyne/cm):54.9


5, Polarizability (10-24cm3 ):16.59

Compute chemical data

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

2. Number of hydrogen bond donors: 1

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 71.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 155

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

1. Properties: Water-soluble<0.1 g/100 mL at 23° C

Storage method

Storage:


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

Synthesis method

None yet

Purpose

None yet

Diethyl fluoromalonate

Structural formula of diethyl fluoromalonate

Structural formula of diethyl fluoromalonate

Structural formula

Business number 078Z
Molecular formula C7H11FO4
Molecular weight 178.16
label

diethyl fluoromalonate,

2-Fluorodiethylmalonate,

Diethyl fluoromalonate,

2-Fluorodiethylmalonate,

Fluoromalonic Acid Diethyl Ester,

FCH(COOC2H5)2,

Fluorinating agent

Numbering system

CAS number:685-88-1

MDL number:MFCD00009139

EINECS number:211-684-7

RTECS number:OO1670000

BRN number:1775686

PubChem number:24857220

Physical property data

1. Characteristics: colorless liquid.


2. Density (g/mL,25/4): 1.129


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


4. Melting point (ºC): Undetermined


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


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


7. Refractive index: 1.407


8. Flash Point (ºC): 62


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 upper limit (%,V/V): Undetermined


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


19. Solubility: Not soluble in water.

Toxicological data

1, acute toxicity: Mouse (subcutaneous) LD50: 15mg/kg;
Rat (subcutaneous)LD50 70mg/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

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1.   Molar refractive index:38.15


2. Molar volumem3/ mol156.8


3. isotonic ratio90.2K367.0


4. Surface Tensiondyne/cm29.9


5. Dielectric constant:


6. Dipole moment(10-24cm3)


7. Polarizability: 15.12

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: 5

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 151

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

Keep away from oxides, bases.

Storage method

Store in an airtight container and place Store in a cool, dry place. Stored The place must be locked and the keys must be given to the technical experts and their assistants for safekeeping. The storage place must be away from oxidants and strong alkali.

Synthesis method

None yet

Purpose

None yet

m-fluoroaniline

M-fluoroaniline structural formula

M-fluoroaniline structural formula

Structural formula

Business number 04J3
Molecular formula C6H6FN
Molecular weight 111.12
label

1-amino-3-fluorobenzene,

1-Amino-3-fluorobenzene,

FC6H4NH2,

aromatic fluoride

Numbering system

CAS number:372-19-0

MDL number:MFCD00007758

EINECS number:206-747-0

RTECS number:BY1400000

BRN number:1305471

PubChem number:24894850

Physical property data

一 , physical property data


Traits :Yellow to brown liquid


Density (g/mL,25/4): 1.156


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


Melting point (ºC): -2


Boiling point (ºC, normal pressure): 186


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: 1.5440


Flash Point (ºC): 77


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:Slightly soluble in water , soluble in ethanol and ether.

Toxicological data

Two , Toxicological data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 , Other harmful effects: The Substances are harmful to the environment, and special attention should be paid to pollution of water bodies.

Molecular structure data

1. Molar refractive index:30.48


2. Molar volume (m3/mol):95.9


3. Isotonic specific volume (90.2K): 240.2


4. Surface tension (dyne/cm): 39.3


5. Polarizability(10-24cm 3):12.08

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.9

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

Medicine; pesticide; liquid crystal material intermediate.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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