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CAS Number: 73762-91-1
3-(chloromethyl)benzo[d]thiazol-2(3H)-one

Structure

 3-(chloromethyl)benzo[d]thiazol-2(3H)-one
Name: 3-(chloromethyl)benzo[d]thiazol-2(3H)-one
Synonyms:
General Information
Product Number: 73762911

CAS Registry Number 73762-91-1
Name:
2(3H)?-?Benzothiazolone, 3-?(chloromethyl)?-
2-Benzothiazolinone, 3-(chloromethyl)- (7CI)
3-(Chloromethyl)-2-benzothiazolinone
3-Chloromethyl-2-benzothiazolone

 

Chemical Formula: C8H6ClNOS
Exact Mass: 198.99
Molecular Weight: 199.66
m/z: 198.99 (100.0%), 200.98 (36.5%), 199.99 (9.6%), 201.99 (3.2%), 202.98 (1.5%)

 

InChI:InChI=1S/C8H6ClNOS/c9-5-10-6-3-1-2-4-7(6)12-8(10)11/h1-4H,5H2

InChI Key:JNONKMUWRWRVRH-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 128-129 °C   (1)CAS
Melting Point 103-104 °C Solv: carbon tetrachloride (56-23-5) (2)IC
Melting Point 95 °C   (3)CAS

Specification

98%
References
  1. (1) Ulrich, H.; Science of Synthesis 2002, V11, P835-912 CAPLUS
  2. (2) D'Amico, John J.; Journal of Heterocyclic Chemistry 1985, V22(6), P1479-82 CAPLUS
  3. (3) BE 609209 1962 CAPLUS
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