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CAS Number: 22876-20-6
6-chlorobenzo[d]oxazole-2(3H)-thione

Structure

 6-chlorobenzo[d]oxazole-2(3H)-thione
Name: 6-chlorobenzo[d]oxazole-2(3H)-thione
Synonyms:
General Information
Product Number: 22876206

CAS Registry Number 22876-20-6
Name:
2(3H)?-?Benzoxazolethione, 6-?chloro-
2-Benzoxazolinethione, 6-chloro- (6CI,8CI)
6-Chloro-2(3H)-benzoxazolethione
6-Chloro-1,3-benzoxazole-2-thiol
6-Chloro-2-benzoxazolinethione
6-Chloro-2-mercaptobenzoxazole

 

Chemical Formula: C7H4ClNOS
Exact Mass: 184.97
Molecular Weight: 185.63
m/z: 184.97 (100.0%), 186.97 (36.8%), 185.97 (8.8%), 187.97 (3.1%), 188.96 (1.4%)

 

InChI:InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)

InChI Key:HAASPZUBSZGCKU-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)OC(=S)N2

 

Thermal Properties Value Condition Note
Melting Point 224-225 °C   (3)CAS
Melting Point 223-225 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
Melting Point 222-225 °C   (4)CAS

Specification

98%
References
  1. (2) Shridhar, D. R.; Synthesis 1983, (11), P936-7 CAPLUS
  2. (3) Katz, Leon; Journal of Organic Chemistry 1954, V19, P758-66 CAPLUS
  3. (4) Deligeorgiev, Todor G.; Monatshefte fuer Chemie 2011, V142(9), P895-899 CAPLUS
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