BDMAEE – Page 111

Perfluoroheptane

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04KE
Molecular formula	C7BrF15
Molecular weight	448.95
label	1-bromoperfluoroheptane, Perfluoroheptane, 1-Bromopentadecafluoroheptane, Perfluoroheptyl bromide, CF3(CF2)6Br, aliphatic compounds

Numbering system

CAS number:375-88-2

MDL number:MFCD00013570

EINECS number:206-799-4

RTECS number:None

BRN number:1716336

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.894

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

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):117
Boiling point (ºC, 5.2kPa)�� Not available

Refraction Rate: 1.301

Flash Point (ºC): 117-119

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: 44.42

2. Molar volume (m³/mol）：239.3

3. isotonic specific volume (90.2K):471.0

4. Surface Tension (dyne/cm):15.0

5. Polarizability（10^-24cm³ ): 17.61

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 15

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 445

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

Resource:allhdi.com

1,7-dimethylnaphthalene

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	05UV
Molecular formula	C12H12
Molecular weight	156.22
label	aromatic compounds

Numbering system

CAS number:575-37-1

MDL number:MFCD00060884

EINECS number:209-382-5

RTECS number:None

BRN number:2039377

PubChem number:24865504

Physical property data

1. Physical property data

1. Properties: liquid.

2. Density (g/mL, 25/4℃): 1.0115

3. Refractive index (nD20): 1.6083

4. Flash point (℃):＞110

5. Melting point (℃): -13.9

6. Boiling point (ºC): 263

7. Boiling point (ºC, 2.0kpa): 147～149

8. Density (20℃, 4℃): 1.0016

9. Refractive index at room temperature (n²⁵): 1.6054

10. Liquid phase standard hot melt (J·mol^-1·K^-1): 280.0

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 53.74

2. Molar volume (cm³/mol): 156.0

3. Isotonic specific volume (90.2K): 386.3

4. Surface tension (dyne/cm): 37.5

5. Polarizability (10^-24cm³): 21.30

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 150

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. Can evaporate with water vapor.

2. Exist in oriental tobacco leaves and smoke.

Storage method

2. Storage

Should be stored in a cool and sealed place.

Synthesis method

1. Tobacco: OR, 57.

Purpose

3. Use

Used in organic synthesis.

Resource:allhdi.com

N-oxy-3-fluoropyridine

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	07AJ
Molecular formula	C5H4FNO
Molecular weight	113.09
label	N-oxy-3-fluoropyridine, 3-fluoro-N-pyridine oxide, 3-Fluoropyridine-N-oxide, 3-Fluoropyridine oxide, Heterocyclic compounds

Numbering system

CAS number:695-37-4

MDL number:MFCD03095181

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: powder.

2. Density (g/mL,25/4℃): Undetermined

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: 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/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

None yet

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

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: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 78.8

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: 1

Properties and stability

Keep 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

None yet

Resource:allhdi.com

2-Methyl nitrobenzoate

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	0697
Molecular formula	C8H7NO4
Molecular weight	181.15
label	O2NC6H4CO2CH3

Numbering system

CAS number:606-27-9

MDL number:MFCD00007136

EINECS number:210-111-8

RTECS number:None

BRN number:2050101

PubChem number:24849583

Physical property data

Physical property data:
1. Characteristics: colorless liquid.

2. Density (g/mL ,25/4℃):1.2855

3. Refraction Rate (nD20):1.5340

4. Flashpoint (℃):＞110

5. Melting point (℃):-13

6. Boiling Point (ºC,0.67kpaor5 mmHg): 275

7. Solubility:Soluble in ethanol, ether, methanol, chloroform and benzene , insoluble in water.

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:44.57

2, Molar volume (m³/mol):139.1

3、 isotonic specific volume (90.2K): 367.6

4, Surface tension (dyne/ cm): 48.6

5、 Polarizability (10^-24cm³): 17.66

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: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 72.1

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 211

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

Should be sealed in a cool place save.

Synthesis method

2. Brief description of production method

By Obtained from the reaction of o-nitrobenzoic acid and methanol.

Purpose

3. Purpose

Used in organic synthesis.

Resource:allhdi.com

Perfluorotrihexylamine

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04T4
Molecular formula	C18F39N
Molecular weight	971.15
label	1-Hexanamine, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(tridecafluorohexyl)-, 1-hexanamine,1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n,n-bis(tridecafluorohexy, PERFLUOROTRIHEXYLAMINE, FC-71, FLUORINERT, FLUORINERTR(FC-71), Perfluorotrihexylamine 97%, Perfluo

Numbering system

CAS number:432-08-6

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.9

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

Melting point (ºC): 33

p>

Boiling point (ºC, normal pressure): 250-260

Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.299

Flash point (ºC): Not available

Specific rotation (º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

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

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

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

Solubility: Not available

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: 47.90

2. Molar volume (cm³/mol): 160.7

3. Isotonic specific volume (90.2K ): 386.2

4. Surface tension (dyne/cm): 33.3

5. Polarizability (10-24cm3): 18.99

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 14

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 40

4. Number of rotatable chemical bonds: 15

5. Mutual conversionNumber of conformers: None

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 58

8. Surface charge: 0

9. Complexity: 1300

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

Perfluoroheptanoic acid

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04KD
Molecular formula	C7HF13O2
Molecular weight	364.06
label	Thirteen-carbon fluoroheptanoic acid, Perfluoroheptanoic acid, tridecafluoroheptanoic acid, aliphatic compounds

Numbering system

CAS number:375-85-9

MDL number:MFCD00039604

EINECS number:206-798-9

RTECS number:None

BRN number:1808210

PubChem number:24861023

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.792

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

Melting point (ºC): 30

Boiling point (ºC, normal pressure): 78-80

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.306

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:37.96

2. Molar volume (m³/mol):209.8

3. Isotonic specific volume (90.2K): 426.6

4. Surface tension (dyne/cm): 17.0

5. Polarizability（10^-24cm³):15.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 15

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 448

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

Resource:allhdi.com

Evodiamine

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	05C1
Molecular formula	C 19 H 17 N 3 O
Molecular weight	303.36
label	8,13,13b,14-Tetrahydro-14-methylindolo[2’3′-3,4]pyrido[2,1-b]quinazolin-5-[7H]-one

Numbering system

CAS number:518-17-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Yellow flake crystal

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

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

4. Melting point (ºC):278

5. Boiling point (ºC,Normal pressure):78-80

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

7. Refractive index: not OK

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. 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 the partition coefficient of water): Undetermined

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

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

19. Solubility:Nearly insoluble in water

Toxicological data

None yet

Ecological data

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

Molecular structure data

1、 Moore refraction Rate: 89.85

2、 Molar volume（m³/mol)：217.4

3、 Isotonic specific volume (90.2K):637.2

4、 Surface tension（dyne/cm):73.8

5、 Polarizability(10^-24cm³）：35.62

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):3.1

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 2

4. Rotatable Number of chemical bonds: 0

5. Interchange Number of isomers:

6. Topological molecules Polar surface area (TPSA):39.3

7. Heavy Atom Quantity: 23

8. Surface Charge ：0

9. Complexity ：495

10. Isotope atomic number: 0

11. Determine the number of atomic stereocenters:1

12. Uncertain number of atomic stereocenters:0

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

14. Uncertain number of 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

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

Biosynthesized. The botanical source is the fruit of the Rutaceae plant Evodia and the same plant Shihu.

Purpose

Evodiamine is one of the main active ingredients of Evodia and has analgesic, blood pressure lowering and Pharmacological effects such as increased body temperature. Acts as a diuretic and diaphoretic agent.

Resource:allhdi.com

Naphthyl acetamide

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	05UU
Molecular formula	C12H11NO
Molecular weight	185.22
label	N-acetyl-1-naphthylamine, N-acetyl-1-aminonaphthalene, N-naphthyl-acetamide, N-1-Naphthalenyl-acetamide, 1-Acetonaphthalide, aromatic compounds

Numbering system

CAS number:575-36-0

MDL number:MFCD00059128

EINECS number:209-380-4

RTECS number:None

BRN number:None

PubChem number:24850120

Physical property data

1. Properties: colorless crystals.

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

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

4. Melting point (ºC): 160

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

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

19. Solubility: Soluble in ethanol, chloroform and petroleum ether , slightly soluble in boiling water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 58.36

2. Molar volume (cm³/mol): 156.6

3. Isotonic specific volume (90.2K): 414.8

4. Surface tension (dyne/cm): 49.2

5. Polarizability (10^-24cm³): 23.13

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: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 214

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

p>

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

None yet

Storage method

1. Store in a sealed, cool, dry place away from light.

Synthesis method

None yet

Purpose

1. Organic synthesis. Pharmaceutical industry, dye synthesis.

Resource:allhdi.com

Heptafluorobutyric anhydride

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04AD
Molecular formula	C8F14O3
Molecular weight	410.06
label	perfluorobutyric anhydride, Heptafluorobutyric anhydride, perfluorobutyric anhydride, 1,1,2,2,3,3,3-Heptafluorobutanoic anhydride, Butanoic acid, heptafluoro-, anhydride, Butanoic acid,heptafluoro-,anhydride, Heptafluorobutanoic anhydride, heptafluoro-butanoicacianhydride, BIS(HEPTAFLUORO-N-BUTYRIC) ANHYDRIDE, HFAA, HEPTAFLUOROBUTYRIC ACID ANHYDRI

Numbering system

CAS number:336-59-4

MDL number:MFCD00000432

EINECS number:206-410-8

RTECS number:None

BRN number:856036

PubChem number:24859995

Physical property data

一 , physical property data

Traits ：Colorless transparent liquid.

Density (g/mL,25/4℃): 1.653

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

Melting point (ºC):-43

Boiling point (ºC, normal pressure): 111

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.2870

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:43.00

2. Molar volume (m³/mol):237.7

3. Isotonic specific volume (90.2K): 483.8

4, Surface tension (dyne/cm):17.1

5. Polarizability（10^-24cm³)：17.04

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 17

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 493

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

This product should be sealed in ampoules or sealed and stored dry.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2-amino-4-methylpyridine

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	07AH
Molecular formula	C6H8N2
Molecular weight	108.14
label	2-amino-4-picolin, 4-Methyl-2-aminopyridine, 4-Methyl-2-pyridinamine, 2-Amino-4-picoline, 4-Methyl-2-pyridinamine, W-45, 4-Methyl-2-aminopyridine, heterocyclic compounds, Organic synthetic raw materials

Numbering system

CAS number:695-34-1

MDL number:MFCD00006321

EINECS number:211-780-9

RTECS number:TJ5150000

BRN number:107066

PubChem number:24846207

Physical property data

1. Character: Leaf-like crystal. Slow heating can sublimate.

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

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

4. Melting point (ºC): 96-99

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

6. Boiling point (ºC, 1.466kPa): 115-117

7. Refractive index: Undetermined

8. Flash point (ºC): 118

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: Soluble in water, low carbon alcohol and dihydrogen Methyl formamide, slightly soluble in petroleum ether and aliphatic hydrocarbons.

Toxicological data

1. Acute toxicity: Rat (oral) LD50: 200 mg/kg; Rat (subcutaneous) LD50: 160 mg/kg Mouse (subcutaneous) LD50: 64 mg/kg Mouse (intravenous) LD50: 39 mg/kg Guinea pig (on skin)LD50: 500 mg/kg

Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity level 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 structure data

1. Molar refractive index: 33.40

2. Molar volume (cm³/mol): 101.2

3. Isotonic specific volume (90.2K ): 264.9

4. Surface tension (dyne/cm): 46.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 13.24

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: 2

6. Topological molecule polar surface area 38.9

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 72.9

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

1. Keep away from oxides, acids, acidic chlorides, and acid anhydrides.

2. It is toxic by inhalation, oral administration or contact with skin, and has cumulative hazards and irritation.

Storage method

1. Store sealed and protected from light.

Synthesis method

None yet

Purpose

1. Organic synthesis.

2. Dye intermediates.

Resource:allhdi.com