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4-Aminobiphenyl

4-Aminobiphenyl structure

CAS No:
92-67-1
Formula:
C12H11N
Chemical Name:
4-Aminobiphenyl
Synonyms:
[1,1′-Biphenyl]-4-amine;4-Biphenylamine;p-Aminobiphenyl;4-Aminobiphenyl;p-Aminodiphenyl;4-Aminodiphenyl;p-Phenylaniline;Xenylamine;p-Biphenylamine;p-Xenylamine;4-Biphenylylamine;4-Phenylaniline;4-Phenylbenzenamine;(1,1′-Biphenyl-4-yl)amine;NSC 7660;4-Amino-1,1′-biphenyl;p-Aminophenyl benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

4-Aminobiphenyl is a combustible, colorless to tan crystalline solid that turns purple on exposure to air. May be used in a liquid solution. Floral odor.

4-Aminobiphenyl Basic Attributes

Molecular Weight：

169.22

Exact Mass：

169.22

EC Number：

202-177-1

HScode：

29214990

Characteristics

PSA：

XLogP3：

2.9

Appearance：

4-aminobiphenyl appears as colorless to yellowish-brown crystals or light brown solid. (NTP, 1992)

Density：

1.16 g/cm³

Melting Point：

53.5 °C

Boiling Point：

302 °C

Flash Point：

>110°C

Refractive Index：

1.619

Water Solubility：

soluble in Dichloromethane, DMSO and Methanol

Storage Conditions：

-20°C Freezer

Vapor Pressure：

Vapour pressure, Pa at 25°C: 0.077

Vapor Density：

Relative vapour density (air = 1): 5.8

Toxicity：

Oral-rat LD50: 500 mg/kg; Oral-Mouse LD50: 205 mg/kg

Flammability characteristics：

Open flame, near heat, Mars and flammable in case of strong oxidants; emit toxic nitrogen oxide gas when heated

Odor：

Floral odor

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

45-22-36/37/38-20/21/22

safety instructions：

53-45-36-26

RTECS Number：

DU8925000

Marks：

T,Xn

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Stability/Shelf Life：

Stable, but slowly reacts with oxygen in the air. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.

Precautionary statement(s)：

P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, P501

Hazard Statements：

H302

Toxicity

Toxicity class：

highly toxic

4-Aminobiphenyl Use and Manufacturing

Methods of Manufacturing

It is obtained by nitrification and reduction of biphenyl: biphenyl and nitric acid are added to the reactor and heated, refluxed for 3h, cooled, poured into ice to crystallize, filtered and washed with water, and recrystallized with ethanol to obtain p-nitrobiphenyl. Then add it to ethanol, heat and reflux under stirring, slowly add Na2S, cool the reaction, pour into ice water, filter the crystals, suck and dry in vacuum to get the finished product.

Uses

In the detection of sulfates.Formerly as rubber antioxidant.As carcinogen in cancer research.

Computed Properties

Molecular Weight:169.22
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:169.089149355
Monoisotopic Mass:169.089149355
Topological Polar Surface Area:26
Heavy Atom Count:13
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Chloroaniline

Potassium carbonate

Benzene

Sodium hypochlorite

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CAS No.: 92-67-1

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