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CAS Number: 22876-19-3
5-chlorobenzo[d]oxazole-2-thiol

Structure

5-chlorobenzo[d]oxazole-2-thiol
Name: 5-chlorobenzo[d]oxazole-2-thiol
Synonyms:
General Information
Product Number: 22876193

CAS Registry Number 22876-19-3
Name:
2(3H)?-?Benzoxazolethione, 5-?chloro-
2-Benzoxazolethiol, 5-chloro- (7CI)
2-Benzoxazolinethione, 5-chloro- (6CI,8CI)
5-Chloro-2(3H)-benzoxazolethione
2-Mercapto-5-chlorobenzoxazole
5-Chloro-1,3-benzoxazole-2-thiol

 

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/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)

InChI Key:BOBIZYYFYLLRAH-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)NC(=S)O2

 

Thermal Properties Value Condition Note
Melting Point 275-276 °C Solv: benzene (71-43-2) (7)CAS
Melting Point 275 °C   (8)CAS
Melting Point 260-261 °C   (9)CAS
Melting Point 260 °C Solv: ethanol (64-17-5); water (7732-18-5) (6)IC

Specification

98%

References
  1. (6) Shridhar, D. R.; Synthesis 1983, (11), P936-7 CAPLUS
  2. (7) Beck, Stanley D.; Annals of the Entomological Society of America 1961, V54, P53-61 CAPLUS
  3. (8) Korczynski, A.; Bulletin de la Societe Chimique de France 1923, V33, P1823-32 CAPLUS
  4. (9) Katz, Leon; Journal of Organic Chemistry 1954, V19, P758-66 CAPLUS
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