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CAS Number: 66090-36-6
3-chlorobenzoyl isothiocyanate

Structure

 3-chlorobenzoyl isothiocyanate
Name: 3-chlorobenzoyl isothiocyanate
Synonyms:
General Information
Product Number: 66090366

CAS Registry Number 66090-36-6
Name:
Benzoyl isothiocyanate, 3-?chloro-
3-Chlorobenzoyl isothiocyanate
m-Chlorobenzoyl isothiocyanate

 

Chemical Formula: C8H4ClNOS
Exact Mass: 196.97
Molecular Weight: 197.64
m/z: 196.97 (100.0%), 198.97 (36.8%), 197.97 (9.9%), 199.97 (3.4%), 200.96 (1.4%)

 

InChI:InChI=1S/C8H4ClNOS/c9-7-3-1-2-6(4-7)8(11)10-5-12/h1-4H

InChI Key:ZUISLKTWVWIULT-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)Cl)C(=O)N=C=S

Specification

98%
References

(1) Danihel, Ivan; Collection of Czechoslovak Chemical Communications 1985, V50(6), P1422-31 CAPLUS
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