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4-Methyl-2-nitrobenzonitrile

4-Methyl-2-nitrobenzonitrile structure

CAS No:
26830-95-5
Formula:
C8H6N2O2
Chemical Name:
4-Methyl-2-nitrobenzonitrile
Synonyms:
Benzonitrile,4-methyl-2-nitro-;p-Tolunitrile,2-nitro-;4-Methyl-2-nitrobenzonitrile;4-Cyano-3-nitrotoluene;NSC 60828
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

White Crystalline Solid

4-Methyl-2-nitrobenzonitrile Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

EC Number：

248-019-5

NSC Number：

60828

DSSTox ID：

DTXSID40181322

HScode：

2926909090

Characteristics

PSA：

69.6

XLogP3：

1.9

Appearance：

White Crystalline Solid

Density：

1.3±0.1 g/cm3

Melting Point：

96 °C @ Solvent: Ethanol

Boiling Point：

134-137 °C

Flash Point：

158.8±24.6 °C

Refractive Index：

1.568

Water Solubility：

soluble in methanol.

Storage Conditions：

2-8°C

Vapor Pressure：

9.52E-05mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

36-26

Marks：

Xn,Xi

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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.

4-Methyl-2-nitrobenzonitrile Use and Manufacturing

A stirred mixture containing Step 1 alpha-Bromo-2-nitro-p-tolunitrile A stirred mixture containing (A)4-Bromomethyl-2-nitrobenzonitrile This compound was prepared from [0629] (a) Preparation of 4-(bromomethyl)-2-nitrobenzene carbonitrile. A mixture of

Computed Properties

Molecular Weight:162.15
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 26830-95-5

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Guide of 4-Methyl-2-nitrobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Methyl-2-nitrobenzonitrile

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