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3-Chlorobenzo[c]isothiazole

3-Chlorobenzo[c]isothiazole structure

CAS No:
34231-96-4
Formula:
C7H4ClNS
Chemical Name:
3-Chlorobenzo[c]isothiazole
Synonyms:
3-Chlorobenzo[c]isothiazole;3-chloro-2,1-benzothiazole;3-chloro-2,1-benzisothiazole;2,1-Benzisothiazole, 3-chloro-;SCHEMBL11085745;DTXSID00480626;ZINC38888459;AKOS022174704;MCULE-4286937882;NE15701

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3-Chlorobenzo[c]isothiazole Basic Attributes

Molecular Weight：

169.635

Exact Mass：

168.97500

DSSTox ID：

DTXSID00480626

Characteristics

PSA：

41.1

XLogP3：

2.94970

Density：

1.435g/cm3

Boiling Point：

261.059ºC at 760 mmHg

Flash Point：

111.685ºC

Refractive Index：

1.696

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:169.63
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Exact Mass:168.9752980
Monoisotopic Mass:168.9752980
Topological Polar Surface Area:41.1
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Chlorobenzo[c]isothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Chlorobenzo[c]isothiazole

SDS

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