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Structure

2-Chlorobenzoyl isothiocyanate

CAS
5067-90-3
Catalog Number
ACM5067903
Category
Other Products
Molecular Weight
197.64
Molecular Formula
C8H4ClNOS

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Specification

Synonyms
2-chlorobenzoyl isothiocyanate, 5067-90-3, ZINC02575492, AC1MBVRW, Benzoyl isothiocyanate, chloro-, CTK2B3694, MolPort-000-152-730, AKOS005202642, (2-chlorophenyl)-isothiocyanatomethanone, (2-chlorophenyl)-isothiocyanato-methanone, BP-12951, KB-85779, FT-0611920, A828246, I01-13944, 62721-90-8
IUPAC Name
2-chlorobenzoyl isothiocyanate
Canonical SMILES
C1=CC=C(C(=C1)C(=O)N=C=S)Cl
InChI Key
XYPZDEZBMUGRRY-UHFFFAOYSA-N
Boiling Point
299.8ºC at 760mmHg
Melting Point
130ºC
Flash Point
135.1ºC
Density
1.29g/cm³
Exact Mass
196.97000
Hazard Statements
Xi,C
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S26-S36-S37-S39
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