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2-(BENZENESULFONYLMETHYL)BENZONITRILE

2-(BENZENESULFONYLMETHYL)BENZONITRILE structure

CAS No:
82651-72-7
Formula:
C14H11NO2S
Chemical Name:
2-(BENZENESULFONYLMETHYL)BENZONITRILE
Synonyms:
2-CYANOBENZYL PHENYL SULFONE;2-(PHENYLSULFONYLMETHYL)BENZONITRILE;2-(BENZENESULFONYLMETHYL)BENZONITRILE;2-(Benzenesulfonylmethyl)benzonitrile2-Cyanobenzyl Phenyl Sulfone

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2-(BENZENESULFONYLMETHYL)BENZONITRILE Basic Attributes

Molecular Weight：

257.31

Exact Mass：

257.05100

DSSTox ID：

DTXSID30659949

Characteristics

PSA：

66.3

XLogP3：

2.4

Density：

1.311g/cm3

Boiling Point：

480.859°C at 760 mmHg

Flash Point：

244.615ºC

Refractive Index：

1.626

Safety Information

hazard class code：

20/21/22-36/37/38-36

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, 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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:257.31
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:257.05104977
Monoisotopic Mass:257.05104977
Topological Polar Surface Area:66.3
Heavy Atom Count:18
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(BENZENESULFONYLMETHYL)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(BENZENESULFONYLMETHYL)BENZONITRILE

SDS

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