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3-Aminobenzonitrile

3-Aminobenzonitrile structure

CAS No:
2237-30-1
Formula:
C7H6N2
Chemical Name:
3-Aminobenzonitrile
Synonyms:
Benzonitrile,3-amino-;Benzonitrile,m-amino-;3-Aminobenzonitrile;m-Aminobenzonitrile;3-Cyanoaniline;m-Cyanoaniline;3-Cyanophenylamine;NSC 7626;3ABN
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

BROWN CRYSTALLINE SOLID

3-Aminobenzonitrile Basic Attributes

Molecular Weight：

118.14

Exact Mass：

118.14

EC Number：

218-800-5

UNII：

15V3CW939X

NSC Number：

7626

DSSTox ID：

DTXSID90176905

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

1.07

Appearance：

Brown Crystalline Solid

Density：

1.1±0.1 g/cm3

Melting Point：

54.3 °C

Boiling Point：

289 °C

Flash Point：

112 °C

Refractive Index：

1.590

Water Solubility：

0.07 M

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Toxicity：

Oral-quail LD50: 560 mg/kg; Oral-Wild bird LD50: 562 mg/kg

Flammability characteristics：

Open flame is flammable; heat releases highly toxic gas containing nitrile and nitrogen oxides

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

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

safety instructions：

36/37-36-26

RTECS Number：

DI2454000

Marks：

Xn,Xi

Storage features：

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

Hazard note：

Harmful

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332-H317

GHS Classification：

|Danger|H302 (91.84%): 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, P333+P313, P337+P313, P361, P363, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

3-Aminobenzonitrile Use and Manufacturing

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:118.14
XLogP3:1.1
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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3-Aminobenzonitrile

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