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CAS Number: 60639-20-5
8-chlorothiochroman-4-one

Structure

8-chlorothiochroman-4-one
Name: 8-chlorothiochroman-4-one
Synonyms:
General Information
Product Number: 60639205

CAS Registry Number 60639-20-5
Name:
4H-?1-?Benzothiopyran-?4-?one, 8-?chloro-?2,?3-?dihydro-
8-Chlorothiochroman-4-one

 

Chemical Formula: C9H7ClOS
Exact Mass: 197.99
Molecular Weight: 198.67
m/z: 197.99 (100.0%), 199.99 (36.8%), 198.99 (10.6%), 200.99 (3.9%), 201.98 (1.4%)

 

InChI:InChI=1S/C9H7ClOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2

InChI Key:POOZGJPLPGPWGR-UHFFFAOYSA-N

Canonical SMILES:C1CSC2=C(C1=O)C=CC=C2Cl

 

Thermal Properties Value Condition Note
Melting Point 93-95 °C   (1)CAS
Melting Point 91-92 °C   (2)CAS

Specification

98%

References
  1. (1) Ma, Zhengyue; Chinese Journal of Chemistry 2011, V29(4), P757-764 CAPLUS
  2. (2) Chu, Sae-Lee; Huaxue Xuebao 1958, V24, P87-96 CAPLUS
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