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2-Chloro-6-mercapto benzonitrile

2-Chloro-6-mercapto benzonitrile structure

CAS No:
72371-52-9
Formula:
C7H4ClNS
Chemical Name:
2-Chloro-6-mercapto benzonitrile
Synonyms:
2-chloro-6-sulfanylbenzonitrile;Benzonitrile,2-chloro-6-mercapto-;2-Chloro-6-mercaptobenzonitrile;2-cyano-3-chlorothiophenol;SCHEMBL4128142;CTK5D5992;2-Chloro-6-mercapto-benzonitrile;DTXSID10611469;ZINC52903043;AKOS011790867

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2-Chloro-6-mercapto benzonitrile Basic Attributes

Molecular Weight：

169.63136

Exact Mass：

168.97500

DSSTox ID：

DTXSID10611469

Characteristics

PSA：

62.59000

XLogP3：

2.50038

Density：

1.35 g/cm3

Boiling Point：

310.2ºC at 760 mmHg

Flash Point：

141.4ºC

Safety Information

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, P310, P312, P321, P330, P332+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
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:168.9752980
Monoisotopic Mass:168.9752980
Topological Polar Surface Area:24.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: calcium bromide; h3bo3; pcl3 name; teaa; t butanol; cholinoid

Guide of 2-Chloro-6-mercapto benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

2-Chloro-6-mercapto benzonitrile

SDS

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