2-aminobiphenyl

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:90-41-5

MDL number:MFCD00007701

EINECS number:201-990-9

RTECS number:DU8850000

BRN number:471874

PubChem number:24846016

Physical property data

1. Properties: Colorless or slightly purple crystals.

2. Density (g/mL, 25/4℃): 1.44

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

4. Melting point (ºC): 51

5. Boiling point (ºC, normal pressure): 299, 145~148 (670pa)

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

7. Refractive index (n²⁰): 1.613-1.615

8. Flash point (ºC): 110

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. 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: Soluble in alcohol, ether and benzene, insoluble in water. Can evaporate with water vapor.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index 55.08

2. Molar volume (cm³/mol): 156.9

3. Isotonic specific volume (90.2K) : 406.4

4. Surface tension (dyne/cm): 44.9

5. Polarizability (10-24cm3): 21.83

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: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 149

10. Number of isotope atoms: 0

11. Determine atomsNumber of stereocenters: 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: 1

Properties and stability

1. It is toxic and may cause irreversible damage to the body. Appropriate protective clothing should be worn when used in large quantities.

2. Exist in smoke.

Storage method

Stored sealed and protected from light.

Synthesis method

Using o-nitrobiphenyl as raw material, obtained by reduction: reflux o-nitrobiphenyl, ethanol, and stannous chloride in a water bath for 3 hours, recover the ethanol, cool the residue, and add 40% liquid alkali to make it Strongly alkaline, separate the oil layer, extract the water layer with ether, dry the extract with anhydrous calcium chloride, filter to recover the ether, wash with ethanol to obtain the crude product, and then distill the crude product under reduced pressure to obtain the finished product.

Purpose

1. Used as raw materials for organic synthesis. Manufacture of carbazole resin and synthetic rubber. Cancer research.