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Structure

Benzoyl isothiocyanate,4-chloro-

CAS
16794-67-5
Catalog Number
ACM16794675
Category
Other Products
Molecular Weight
197.64
Molecular Formula
C8H4ClNOS

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Specification

Synonyms
NSC29260, CID232162, ZINC01652070, T5225160, 16794-67-5
IUPAC Name
4-chlorobenzoyl isothiocyanate
Canonical SMILES
C1=CC(=CC=C1C(=O)N=C=S)Cl
InChI Key
OTZBZZNWOAIAEN-UHFFFAOYSA-N
Boiling Point
300ºC at 760 mmHg
Melting Point
45ºC
Flash Point
135.2ºC
Density
1.29 g/cm³
Exact Mass
196.97000
Hazard Statements
Xi: Irritant;C: Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26-36/37/39
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