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3-Nitrobenzonitrile

3-Nitrobenzonitrile structure

CAS No:
619-24-9
Formula:
C7H4N2O2
Chemical Name:
3-Nitrobenzonitrile
Synonyms:
Benzonitrile,3-nitro-;Benzonitrile,m-nitro-;3-Nitrobenzonitrile;m-Cyanonitrobenzene;3-Cyanonitrobenzene;1-Cyano-3-nitrobenzene;3-Cyano-1-nitrobenzene;m-Nitrobenzonitrile;NSC 5382
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

YELLOWISH CRYSTALLINE POWDER OR NEEDLES

3-Nitrobenzonitrile Basic Attributes

Molecular Weight：

148.12

Exact Mass：

148.12

BRN：

637674

EC Number：

210-587-7

NSC Number：

5382

DSSTox ID：

DTXSID5060697

HScode：

29269095

Characteristics

PSA：

69.6

XLogP3：

1.17

Appearance：

Yellow Crystalline Powder or Needles

Density：

1.3±0.1 g/cm3

Melting Point：

116 °C

Boiling Point：

292 °C

Flash Point：

165°C/21mm

Refractive Index：

1.580

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.014mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG 2

wgk germany：

hazard class code：

20/22-20/21/22-23/24/25

safety instructions：

22-24/25-36/37-45-36/37/39-26

RTECS Number：

DI4900000

Marks：

Xn,T,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Danger|H301 (15.22%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-cyanonitrobenzene

3-Nitrobenzonitrile Use and Manufacturing

Uses

Used as medicine and pesticide intermediate

Manufacturing Info：

Benzonitrile, 3-nitro-: ACTIVE

Computed Properties

Molecular Weight:148.12
XLogP3:1.2
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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3-Nitrobenzonitrile 98.0%min

CAS No.: 619-24-9

Content: 98%

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3-Nitrobenzonitrile

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Content: 99.00%

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