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CAS Number: 21815-91-8
3-chlorobenzo[b]thiophene-2-carbonyl chloride

Structure

3-chlorobenzo[b]thiophene-2-carbonyl chloride
Name: 3-chlorobenzo[b]thiophene-2-carbonyl chloride
Synonyms:
General Information
Product Number: 21815918

CAS Registry Number 21815-91-8
Name:
Benzo[b]?thiophene-?2-?carbonyl chloride, 3-?chloro-
3-Chlorobenzo[b]thiophene-2-carbonyl chloride
3-Chlorobenzo[b]thiophene-2-carboxylic acid chloride
3-Chlorobenzothiophene-2-carbonyl chloride
3-Chlorobenzothiophenecarbonyl chloride

 

Chemical Formula: C9H4Cl2OS
Exact Mass: 229.94
Molecular Weight: 231.10
m/z: 229.94 (100.0%), 231.93 (68.4%), 233.93 (13.1%), 230.94 (10.6%), 232.94 (6.7%), 234.93 (1.4%)

 

InChI:InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H

InChI Key:GWKSSMDJEWPKCM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 150 °C   (4)CAS
Melting Point 115 °C   (3)IC
Melting Point 114.5-115.5 °C   (7)IC
Melting Point 114-116 °C Solv: heptane (142-82-5) (8)IC
Melting Point 114-115 °C Solv: hexane (110-54-3) (5)IC
Melting Point 113-114 °C   (1)CAS
Melting Point 112-114 °C   (9)CAS
Melting Point 112-114 °C   (10)CAS
Melting Point 112-114 °C   (11)CAS

Specification

98%

References
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