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2-[(4-Methylphenyl)sulfonyl]acetonitrile

2-[(4-Methylphenyl)sulfonyl]acetonitrile structure

CAS No:
5697-44-9
Formula:
C9H9NO2S
Chemical Name:
2-[(4-Methylphenyl)sulfonyl]acetonitrile
Synonyms:
Acetonitrile,2-[(4-methylphenyl)sulfonyl]-;Acetonitrile,(p-tolylsulfonyl)-;Acetonitrile,[(4-methylphenyl)sulfonyl]-;2-[(4-Methylphenyl)sulfonyl]acetonitrile;4-Tolylsulfoacetonitrile;[(4-Methylphenyl)sulfonyl]acetonitrile;(p-Tolylsulfonyl)acetonitrile;Cyanomethyl p-tolyl sulfone;(4-Tolylsulfonyl)acetonitrile;p-Toluenesulfonylacetonitrile;NSC 125922;4-Methylbenzenesulfonylacetonitrile;Tosylacetonitrile;2-(4-Methylbenzenesulfonyl)acetonitrile;2-Tosylacetonitrile;(Toluene-4-sulfonyl)-acetonitrile

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Description

off-white crystalline powder

2-[(4-Methylphenyl)sulfonyl]acetonitrile Basic Attributes

Molecular Weight：

195.24

Exact Mass：

195.24

EC Number：

227-173-7

UNII：

3XRA8X3VVZ

NSC Number：

125922

DSSTox ID：

DTXSID90205547

HScode：

2926909090

Characteristics

PSA：

66.3

XLogP3：

1.3

Density：

1.2±0.1 g/cm3

Melting Point：

149.5-150.5 °C

Flash Point：

196.3±28.7 °C

Refractive Index：

1.540

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

hazard class code：

6.1

safety instructions：

S36/37

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (28.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:195.24
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:195.03539970
Monoisotopic Mass:195.03539970
Topological Polar Surface Area:66.3
Heavy Atom Count:13
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-Methylphenyl)sulfonyl]acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2-[(4-Methylphenyl)sulfonyl]acetonitrile

SDS

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