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2-Aminobenzonitrile

2-Aminobenzonitrile structure

CAS No:
1885-29-6
Formula:
C7H6N2
Chemical Name:
2-Aminobenzonitrile
Synonyms:
Benzonitrile,2-amino-;Anthranilonitrile;2-Aminobenzonitrile;o-Aminobenzonitrile;2-Cyano-1-aminobenzene;2-Cyanoaniline;o-Cyanoaniline;2-Cyanophenylamine;1-Amino-2-cyanobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

Yellow Solid

2-Aminobenzonitrile Basic Attributes

Molecular Weight：

118.14

Exact Mass：

118.14

BRN：

907187

EC Number：

217-549-9

UNII：

5RXH2B211R

DSSTox ID：

DTXSID9051824

HScode：

29269095

Characteristics

PSA：

49.8

XLogP3：

1.4

Appearance：

Yellow to beige-brown Crystalline Flakes

Density：

1.11 g/cm3 (50℃)

Melting Point：

51 °C

Boiling Point：

263 °C

Flash Point：

>230 °F

Refractive Index：

1.5500 (estimate)

Water Solubility：

INSOLUBLE

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.00812mmHg at 25°C

Toxicity：

Abdominal-mouse LD50: 1000 mg/kg; intravenous-mouse LD50: 180 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and cyanide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38-43

safety instructions：

26-36/37-36

RTECS Number：

CB4575000

Marks：

Xn,T,Xi

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H317-H319-H332-H335

GHS Classification：

|Warning|H302 (34.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 140 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

2-aminobenzonitrile

2-Aminobenzonitrile Use and Manufacturing

Uses

Used for induction of nitrilase activity in Arthrobacter.Used as radioprotective agent

Manufacturing Info：

Benzonitrile, 2-amino-: ACTIVE

Computed Properties

Molecular Weight:118.14
XLogP3:1.4
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:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Aminobenzonitrile CAS1885-29-6

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Grade: Industrial Grade

Content: 99%

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