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1,2-Benzisothiazole-3-acetonitrile

1,2-Benzisothiazole-3-acetonitrile structure

CAS No:
37839-44-4
Formula:
C9H6N2S
Chemical Name:
1,2-Benzisothiazole-3-acetonitrile
Synonyms:
1,2-Benzisothiazole-3-acetonitrile;2-(1,2-Benzothiazol-3-yl)acetonitrile

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1,2-Benzisothiazole-3-acetonitrile Basic Attributes

Molecular Weight：

174.22

Exact Mass：

174.22

Characteristics

PSA：

64.9

XLogP3：

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:174.22
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.02516937
Monoisotopic Mass:174.02516937
Topological Polar Surface Area:64.9
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Benzisothiazole-3-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,2-Benzisothiazole-3-acetonitrile

SDS

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