Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:56-18-8

MDL number:MFCD00008214

EINECS number:200-261-2

RTECS number:JL9450000

BRN number:1071254

PubChem number:24896102

Physical property data

1. Characteristics: Colorless liquid.

2. Density ( g/mL,25/4℃) ：0.938

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

4. Melting point ( oC): -14

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

6. Boiling point ( oC, 6.67kPa): 151

7. Refractive index: 1.4810

8. Flash Point (oC):118

9. Specific optical rotation (o): Undetermined

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

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/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

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

19. Solubility: soluble in water and polar organic solvents.

Toxicological data

1, skin or eyes Irritation: Rabbit, skin contact, open irritation test, 470mg, moderate reaction; Rabbit, eye contact, standard Draize test, 47mg, strong reaction
2, acute toxicity: rat oral LD50: 738mg /kg; Mouse oral administration LD50: 435mg/kg; Rabbit oral administration LD50: 210mg/kg; Rabbit, skin contact LD50: 110ul/kg；
Rat subcutaneous LDLo: 200mg/kg; guinea pig oral LD50 ：258mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.51

2.   Molar volume (m³ /mol):143.7

3. isotonic specific volume (90.2K):356.8

4. Surface Tension (dyne/cm):37.9

5. Polarizability（10^-24cm³):16.06

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 64.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 41.6

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

None

Storage method

This product should be sealed and stored in a dry and dark place .

Synthesis method

None

Purpose

Affinity chromatography analysis of meta-amines. Intermediates for the manufacture of soap, dyes, rubber, and chemicals. Emulsifier. Pesticides and medicines.

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