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2-Nitrobenzonitrile

2-Nitrobenzonitrile structure

CAS No:
612-24-8
Formula:
C7H4N2O2
Chemical Name:
2-Nitrobenzonitrile
Synonyms:
Benzonitrile,2-nitro-;Benzonitrile,o-nitro-;2-Nitrobenzonitrile;o-Nitrobenzonitrile;o-Cyanonitrobenzene;2-Cyanonitrobenzene;2-Cyano-1-nitrobenzene;NSC 1994
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

YELLOW CRYSTALLINE POWDER

2-Nitrobenzonitrile Basic Attributes

Molecular Weight：

148.12

Exact Mass：

148.12

BRN：

638987

EC Number：

210-301-0

UNII：

DRC6U29FCI

NSC Number：

1994

DSSTox ID：

DTXSID80210100

HScode：

2926909090

Characteristics

PSA：

69.6

XLogP3：

Appearance：

Yellow Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

108 °C

Boiling Point：

135 °C @ Press: 0.5 Torr

Flash Point：

165°C/16mm

Refractive Index：

1.580

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/22-36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

DI4903000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P361, P363, P405, P501

Hazard Statements：

H302-H332

GHS Classification：

|Danger|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:148.12
XLogP3:1
Hydrogen Bond Acceptor Count:3
Exact Mass:148.027277375
Monoisotopic Mass:148.027277375
Topological Polar Surface Area:69.6
Heavy Atom Count:11
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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