3-AMINOBIPHENYL Chemical Properties

Melting point:

28-33 °C

Boiling point:

125/1mm

Density 

1.0788 (rough estimate)

refractive index 

1.6125 (estimate)

Flash point:

29 °C

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

soluble in Methanol

form 

powder to lump to clear liquid

pka

4.25(at 18℃)

color 

White or Colorless to Light orange to Yellow

InChI

1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2

InChIKey

MUNOBADFTHUUFG-UHFFFAOYSA-N

SMILES

Nc1cccc(c1)-c2ccccc2

CAS DataBase Reference

2243-47-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn,N

Risk Statements 

20/21/22-36/37/38-51-22

Safety Statements 

26-36/37/39-36-61-45-25-24

RIDADR 

UN2811

WGK Germany 

3

RTECS 

DU8900000

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29029090

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:ALFA

3-AMINOBIPHENYL Usage And Synthesis

Chemical Properties

Pale Yellow Oil

Uses

Product of smoking tobacco

Synthesis Reference(s)

Journal of Medicinal Chemistry, 45, p. 2260, 2002 DOI: 10.1021/jm010261z

Synthesis

Dissolve p-hydroxybiphenyl in methyl tert-butyl ether, mixing and stirring well, drop nitric acid into the resulting mixed solution, continue stirring for 1-3h after dropping, and the temperature of the whole process is controlled at 20-40??; obtain the solid compound 3-nitro; add 3-nitro to the reaction vessel, with methanol as solvent and Raney nickel as catalyst, pressurize the reaction vessel with pressure of 2-3MPa, and temperature of 80-90??, then remove methanol by vacuum rotary evaporation to obtain 3-amino biphenyl. Under the condition of ??, the reaction was carried out for 2-3h, and then methanol was removed by vacuum rotary evaporation to obtain 3-aminobiphenyl.

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