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2-Methyl-5-nitrobenzonitrile

2-Methyl-5-nitrobenzonitrile structure

CAS No:
939-83-3
Formula:
C8H6N2O2
Chemical Name:
2-Methyl-5-nitrobenzonitrile
Synonyms:
Benzonitrile,2-methyl-5-nitro-;o-Tolunitrile,5-nitro-;2-Methyl-5-nitrobenzonitrile;2-Cyano-4-nitrotoluene;5-Nitro-o-tolunitrile;6-Methyl-3-nitrobenzonitrile;5-Nitro-2-methylbenzonitrile;NSC 507493
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Light yellow crystalline

2-Methyl-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

BRN：

1947376

NSC Number：

507493

DSSTox ID：

DTXSID20325444

HScode：

2926909090

Characteristics

PSA：

69.6

XLogP3：

2.3

Density：

1.3±0.1 g/cm3

Melting Point：

113-115 °C

Boiling Point：

175°C/10mmHg(lit.)

Flash Point：

130.1±24.0 °C

Refractive Index：

1.568

Water Solubility：

ethanol: soluble (lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, 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:162.15
XLogP3:2.3
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

Material

Ethyl cyanoacetate

Sulfuric acid

Nitric acid

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Guide of 2-Methyl-5-nitrobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Latest News
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2-Methyl-5-nitrobenzonitrile

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