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4-Aminobenzonitrile

4-Aminobenzonitrile structure

CAS No:
873-74-5
Formula:
C7H6N2
Chemical Name:
4-Aminobenzonitrile
Synonyms:
Benzonitrile,4-amino-;Benzonitrile,p-amino-;4-Aminobenzonitrile;4-Cyanoaniline;1-Amino-4-cyanobenzene;p-Aminobenzonitrile;p-Cyanoaniline;4-Cyanobenzenamine;4-Aminobenzenenitrile;4-Cyanophenylamine;NSC 7625;4-Cyanobenzeneamine;p-Cyanophenylamine;4-Aminophenylnitrile
Categories:
Organic Chemistry > Nitrile Compound

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Description

off-white or beige to orange-yellow crystalline

4-Aminobenzonitrile Basic Attributes

Molecular Weight：

118.14

Exact Mass：

118.14

BRN：

774507

EC Number：

212-850-1

UNII：

PB8V69Y76T

NSC Number：

7625

DSSTox ID：

DTXSID0061240

HScode：

29269095

Characteristics

PSA：

49.8

XLogP3：

1.3

Appearance：

Off-white or beige to orange-yellow Crystalline Powder Chunks

Density：

1.1±0.1 g/cm3

Melting Point：

83-85 °C

Boiling Point：

167 °C @ Press: 1.1 Torr

Flash Point：

127.1±22.6 °C

Refractive Index：

1.590

Water Solubility：

soluble in ethyl acetate, dichloromethane and chloroform. Insoluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

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

safety instructions：

26-36

RTECS Number：

BX2320000

Marks：

Xn,Xi

Hazard note：

Harmful

Precautionary statement(s)：

P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H319

GHS Classification：

|Danger|H301 (87.69%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P337+P313, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 65 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-aminobenzonitrile

4-Aminobenzonitrile Use and Manufacturing

Uses

Usually used as derivatization reagent in capillary zone electrophoretic analysis of aldoses, ketoses and uronic acid,and also used in the synthesis of methacrylic monomers containing pendant azobenzene structures and polythiophenes containing an azobenzene moiety in the side-chain.

Manufacturing Info：

Benzonitrile, 4-amino-: ACTIVE

Computed Properties

Molecular Weight:118.14
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:118.053098200
Monoisotopic Mass:118.053098200
Topological Polar Surface Area:49.8
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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