BDMAEE – Page 126

Perfluorohexyl bromide

Published by BDMAEE on 2024-03-21 | Permalink

Structural formula

Business number	04A0
Molecular formula	C6BrF13
Molecular weight	398.95
label	1-bromoperfluoroethane, 1-bromoperfluorohexane, PERFLUOROHEXYL BROMIDE, 1-BROMOTRIDECAFLUOROHEXANE, 1-BROMOPERFLUOROHEXANE, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane, Perfluorohexyl bromide 98%, Perfluorohexylbromide98%, Tridecafluorohexyl Bromide

Numbering system

CAS number:335-56-8

MDL number:MFCD00042349

EINECS number:206-391-6

RTECS number:None

BRN number:1714896

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.871

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

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):97

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.3

Flash Point (ºC): 100-101

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: 39.50

2. Molar volume (m³/mol）：211.8

3. isotonic specific volume (90.2K):417.1

4. Surface Tension (dyne/cm):15.0

5. Polarizability（10^-24cm³):15.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 13

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 366

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

Resource:allhdi.com</a

m-phenylenediamine sulfate

Published by BDMAEE on 2024-03-21 | Permalink

Structural formula

Business number	05L3
Molecular formula	C6H10N2SO4
Molecular weight	206.22
label	m-phenylenediamine sulfate, Metadiaminobenzene sulfate, 1,3-phenylenediamine sulfate, 1,3-phenylenediamine sulfate, m-Phenylenediamine sulfate, 1,3-Benzenediaminesulfate

Numbering system

CAS number:541-70-8

MDL number:None

EINECS number:208-791-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: colorless or light gray crystal or powder

2. Density (g/ cm³,25/4℃): Undetermined

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

4. Melting point (ºC): Undetermined

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

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash point (ºF): Undetermined

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,55.1ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. oil and water Alcohol/Log value of partition coefficient (water): undetermined

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

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

19. Solubility:Soluble in water and ethanol

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

None

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: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 135

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 146

10. Number of isotope atoms: 0

11. Determine the atomic stereocenterQuantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

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

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. 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

None

Purpose

None

Resource:allhdi.com</a

phenylpropinoic acid

Published by BDMAEE on 2024-03-21 | Permalink

Structural formula

Business number	070P
Molecular formula	C9H6O2
Molecular weight	146.14
label	phenylpropinoic acid, Phenylacetylenecarboxylic acid, Phenylpropynoic acid, C6H5C≡CCOOH, Alkynoic acid derivatives

Numbering system

CAS number:637-44-5

MDL number:MFCD00004361

EINECS number:211-285-8

RTECS number:None

BRN number:742587

PubChem number:24887398

Physical property data

1. Properties: White lens powder.

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

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

4. Melting point (ºC): 135-137

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 rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined.

Toxicological data

None

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 40.30

2. Molar volume (cm³/mol): 117.3

3. Isotonic specific volume (90.2K ): 323.2

4. Surface tension (dyne/cm): 57.5

5. Polarizability (10^-24cm³): 15.97

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Extension�Molecular polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 200

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

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

Synthesis method

1. Preparation method:

In a reaction bottle equipped with a stirrer and a reflux condenser , add 1.2L of 95% ethanol and 252g of potassium hydroxide (4.5mol), stir to dissolve. Cool to 40~50°C, add 336g (1.0mol) of α,β-dibromo-βphenylpropionic acid ethyl ester (2), and heat to reflux for 5 hours after the reaction becomes stable. Cool, filter out the precipitate (retained), adjust the filtrate to neutrality with concentrated hydrochloric acid, then filter out the precipitate (retained), and recover ethanol by distillation under normal pressure. Combine the residue with the precipitate (3) filtered above, dissolve it in 800 mL of water, and add crushed ice to make it about 1.8L. Use 20% sulfuric acid in an ice water bath to make it highly acidic ^①, and a light brown solid will precipitate. Filter it with suction and wash with 2% dilute sulfuric acid. Dissolve the filtered solid in 1.5L (5%) sodium carbonate, decolorize with activated carbon, filter with suction, cool and add 200g of crushed ice. Adjust to strong acidity with 20% sulfuric acid, precipitate the solid, suction filter, wash with 2% sulfuric acid and water in sequence, and dry in a vacuum dryer to obtain 115g of phenylpropinoic acid (1), with a yield of 79%. Recrystallize with carbon tetrachloride to obtain 70g of pure product, mp 135~136℃. Note: ① When adding sulfuric acid, it should be done at low temperature as much as possible to prevent decarboxylation reaction. ^[1]

Purpose

None

Resource:allhdi.com</a

Clofibrate

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	070H
Molecular formula	C12H15ClO3
Molecular weight	242.70
label	Ethyl p-chlorophenoxyisobutyrate, clofibrate, Chlorobutyl, 2-(4-Chlorophenoxy)-2-methylpropionic acid ethyl ester, Ethyl 2-(4-chlorophenoxy)-2-methylpropionate, Ethyl 2-(4-chlorophenoxy)isobutyrate, ClC6H4OC(CH3)2COOC2H5

Numbering system

CAS number:637-07-0

MDL number:MFCD00000615

EINECS number:211-277-4

RTECS number:UE9480000

BRN number:1913459

PubChem number:24278085

Physical property data

1. Characteristics: colorless to yellow transparent liquid.

2. Density (g/mL,25/4℃): 1.14

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

4. Melting point (ºC):

5. Boiling point (ºC,Normal pressure): 154

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

7. Refractive index: 1.503

8. Flash point (ºC): 113

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/Log value of partition coefficient (water): Undetermined

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

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

19. Solubility: Insoluble in water, soluble in ethanol, acetone, chloroform, ether.

Toxicological data

None yet

Ecological data

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 62.73

2. Molar volume (m³/mol）：211.4

3. Isotonic specific volume (90.2K）：518.5

4. Surface Tension (dyne/cm):36.1

5. Polarizability（10^-24cm³):24.86

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: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 232

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 and light.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents. Keep away from light.

Synthesis method

According to the raw materials used, there are two main qualification routes for this product. One is to use p-aminophenol as raw material through diazotization; to produce p-chlorophenol through substitution, and then to condense; hydrolyze and acidify to produce p-chlorophenoxyisobutyl acid, and finally esterified to clofibrate. This route has longer steps and the raw material used is unstable to aminophenol, but it is relatively mature. The second method is to use phenol as raw material, which is condensed to form phenoxyisobutyric acid, and then chlorine is passed through ethanol to perform chlorination and esterification reactions to form clofibrate.

Purpose

Hyperlipidemic drug. It can inhibit the synthesis of cholesterol and triglycerides, increase the excretion of sterols, and reduce blood lipid levelsULDL has been clinically proven to be more effective in lowering triglycerides than in lowering cholesterol. When the effect is strong, triglycerides can be reduced30-40%, can lower cholesterol15-20%, suitable forⅢ;Ⅳ;ⅤType hyperlipidemia, rightⅢEspecially good for partsⅡb is also effective. In addition, this product can reduce the content of plasma fibrinogen and the viscosity of platelets, thus , it is helpful to prevent the formation of thrombosis, reduce the incidence of myocardial infarction, and is used for hyperlipidemia and arteriosclerosis. Some patients who take this product have symptoms such as nausea, vomiting, loss of appetite, abdominal distension, and diarrhea. In order to reduce gastrointestinal reactions, it is advisable to use a small dose at the beginning and gradually increase it later, but the prescribed dose should be reached in the first month of treatment. It is also best to use a tapering method when discontinuing medication. Use with caution in patients with liver and kidney dysfunction. Not for use by pregnant women. Toxicity: OralLD50Mouse1.28g/kg;rat1.65g /kg.

osthole

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	052K
Molecular formula	C15H16O3
Molecular weight	244.29
label	Methyl 2-methoxy-5-methanesulfonylbenzoate, 7-methoxy-8-prenylcoumarin, 7-Methoxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one

Numbering system

CAS number:484-12-8

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

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

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

4. Melting point (ºC):83-84

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

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

7. Refractive index: Undetermined

8. Flash Point (ºF): 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: Undetermined

Toxicological data

Acute toxicity: Orally administered to ratsLD50: 2905mg/kg, convulsion or epilepsy, muscle contraction or lung spasm, difficulty breathing;

Rat transperitonealLD50: 600mg/kg, convulsion or epilepsy, muscle contraction or lung spasm, difficulty breathing;

Mouse transabdominal LD50: 395mg/kg, convulsion or epilepsy, muscle contraction or lung spasm, difficulty breathing;

Mouse subcutaneously LD50: 16mg/kg, no details except lethal dose;

Dog Meridian VeinLD50: >40mg/kg, no details except lethal dose;

Rabbit transdermal LD50: >70mg/kg, no details except lethal dose;

Rabbit MeridianLDLo: 25mg/kg, convulsion or epilepsy, muscle contraction or lung spasm, respiratory irritation to the lungs, chest, and other changes;

Guinea pig oralLD: >1gm/kg, no details except lethal dose.

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:69.79

2、 Molar volume(m³/mol）：216.8

3、 Isotonic specific volume (90.2K):546.6

4、 Surface tension（dyne/cm)：40.3

5、 Polarizability（10^-24cm³）：27.66

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 366

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

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Intermediate of Tiapride.

2-octylamine

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	079R
Molecular formula	C8H19N
Molecular weight	129.24
label	4-Aminooctane, 1-Methylheptylamine, sec-Octylamine, CH3(CH2)5CH(NH2)CH3, dye intermediates, pesticide intermediates, additive

Numbering system

CAS number:693-16-3

MDL number:MFCD00008103

EINECS number:211-744-2

RTECS number:MK1210000

BRN number:1719318

PubChem number:24851086

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 25/4℃): 0.771

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 165

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

7. Refractive index: 1.4235

8. Flash point (ºC): 50

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in Ethanol and ether are insoluble in water.

Toxicological data

1. Acute toxicity: Rat (oral) LD50: 165μL/kg Mouse (oral) LDLo: 50μL/kg Mouse (intravenous) LD50: 23mg/kg Guinea pig (skin) LDLo: 100μL/kg

Due to salt The LD50 is 3,000 mg/kg, and the acute toxicity of BPA is the same as that of table salt.

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structureData

1. Molar refractive index: 42.60

2. Molar volume (cm³/mol): 164.6

3. Isotonic specific volume (90.2K ): 376.8

4. Surface tension (dyne/cm): 27.4

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.89

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: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 52.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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 and acids.

Storage method

This product should be sealed and stored in a cool place.

Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Store away from oxidizing agents. Never store with acidic materials.

Synthesis method

None yet

Purpose

Used as rubber accelerator, pesticide, dye, and intermediate in pharmaceutical manufacturing.

phenylhydrazone levulinate

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05ZJ
Molecular formula	C11H14N2O2
Molecular weight	206.24
label	4-(phenylhydrazino)pentanoic acid, 4-(phenylhydrazono)valeric acid

Numbering system

CAS number:588-60-3

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 61.7

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 233

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: 1

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

1-penten-3-ol

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	06H9
Molecular formula	C5H10O
Molecular weight	86.13
label	Ethyl vinyl carbinol, Ethyl vinyl carbinol, alcohol solvent

Numbering system

CAS number:616-25-1

MDL number:MFCD00004573

EINECS number:210-472-1

RTECS number:None

BRN number:1736934

PubChem number:24887102

Physical property data

1. Properties: colorless oily liquid

2. Relative density: 0.839

3. Refractive index (nD20): 1.4239

4. Flash point (℃): 25

5. Boiling point (ºC): 114~115

6. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^-1): -3150.26

7. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -246.4

8 . Solubility: Miscible with ethanol and ether, slightly soluble in water.

Toxicological data

None yet

Ecological data

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: 26.43

2. Molar volume (cm³/mol): 104.0

3. Isotonic specific volume (90.2K): 234.1

4. Surface tension (dyne/cm): 25.6

5. Polarizability (10^-24cm³): 10.47

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 1

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 20.2

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 41.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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. The product may not decompose under normal temperature and pressure.

2. Found in flue-cured tobacco leaves.

Storage method

Seal the secret container and store it in a sealed main container in a cool, dry place.

Synthesis method

Purpose

Organic Synthesis.

Spermidine trihydrochloride

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	049S
Molecular formula	C7H22Cl3N3
Molecular weight	254.63
label	N-(3-aminopropyl)-1,4-butanediamine trihydrochloride, Spermidine hydrochloride, Spermidine HCL, N-[3-AMINOPROPYL]-1,4-BUTANEDIAMINE 3 H CL, N-(3-AMINOPROPYL)-1 4-BUTANEDIAMINE HYDROCHLORIDE, N-(3-AMINOPROPYL)-1,4-BUTANEDIAMINE TRIHYDROCHLORIDE, N-(3-AMINOPROPYL)-1,4-DIAMINOBUTANE 3HCL, N-(3-AMINOPROPYL)-1,4-DIAMINO-BUTANE TRIHYDROCHLORIDE, SPERMIDINE 3HC

Numbering system

CAS number:334-50-9

MDL number:MFCD00012918

EINECS number:206-379-0

RTECS number:EJ7023000

BRN number:3552356

PubChem number:24888218

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): 257-259

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

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: 45.14

2. Molar Volume (m³/mol）：160.2

3. isotonic specific volume (90.2K):396.6

4. Surface tension (dyne/cm):37.5

5. Polarizability(10^-24cm³):17.89

Compute chemical data

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

2. Number of hydrogen bond donors: 6

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 64.1

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 56.8

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: 4

Properties and stability

None yet

Storage method

Store at 2-8℃.

Synthesis method

None yet

Purpose

None yet

4-nitro-1-naphthol

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	068Q
Molecular formula	C10H7NO3
Molecular weight	189.17
label	None yet

Numbering system

CAS number:605-62-9

MDL number:MFCD02179392

EINECS number:000-000-0

RTECS number:None

BRN number:1959672

PubChem ID:None

Physical property data

None yet

Toxicological data

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:52.52

2, Molar volume (m³/mol):133.8

3, Isotonic specific volume (90.2K ):381.6

4, Surface tension (dyne/ cm):66.1

5、 Polarizability (10^-24cm³): 20.82

Compute chemical data

1. Hydrophobic parameter calculation reference value (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: 2

6. Topological molecule polar surface area 66

7. Number of heavy atoms: 14

8. Surface charge :0

9. Complexity: 226

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of 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

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