3-Chlorobenzo[b]thiophene-2-carboxylic acid
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![3-Chlorobenzo[b]thiophene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/416d44d4f7b840289fd42d0122b44294.png "3-Chlorobenzo[b]thiophene-2-carboxylic acid")
3-Chlorobenzo[b]thiophene-2-carboxylic acid
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CAS No:
21211-22-3
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Formula:
C9H5ClO2S
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Chemical Name:
3-Chlorobenzo[b]thiophene-2-carboxylic acid
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Synonyms:
Benzo[b]thiophene-2-carboxylic acid,3-chloro-;3-Chlorobenzo[b]thiophene-2-carboxylic acid;3-Chlorobenzothiophene-2-carboxylic acid;NSC 206632;3-Chloro-1-benzothiophene-2-carboxylic acid
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CAS No:
3-Chlorobenzo[b]thiophene-2-carboxylic acid Basic Attributes
212.65
212.65
1425602
0
206632
DTXSID10308665
2934999090
Characteristics
65.5
4.13
1.5±0.1 g/cm3
263 °C
395.1±22.0 °C at 760 mmHg
192.8±22.3 °C
1.720
5.94E-07mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22
26-36
Xn,Xi
Irritant
P305 + P351 + P338
H302-H319
|Warning|H302 (86.67%): 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|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:212.65
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:211.9698783
Monoisotopic Mass:211.9698783
Topological Polar Surface Area:65.5
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chlorobenzo[b]thiophene-2-carboxylic acid
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