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Structure

Benzene,4-chloro-2-isothiocyanato-1-methyl-

CAS
19241-36-2
Catalog Number
ACM19241362
Category
Other Products
Molecular Weight
183.66
Molecular Formula
C8H6 Cl N S

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Specification

Synonyms
5-Chloro-o-tolyl isothiocyanate, 474940_ALDRICH, NSC134677, NSC 134677, CID29519, BRN 2717659, ZINC00164742, 5-Chloro-2-methylphenyl isothiocyanate, BBR-022695, ISOTHIOCYANIC ACID, 5-CHLORO-o-TOLYL ESTER, LS-86406, 3-CHLORO-6-METHYLPHENYL ISOTHIOCYANATE, 3-12-00-01913 (Beilstein Handbook Reference), 19241-36-2
IUPAC Name
4-chloro-2-isothiocyanato-1-methylbenzene
Canonical SMILES
CC1=C(C=C(C=C1)Cl)N=C=S
InChI Key
VDBDGAPNWNWUSA-UHFFFAOYSA-N
Boiling Point
268ºC
Flash Point
131ºC
Density
1.248
Appearance
Yellow Liquid
Exact Mass
182.99100
Hazard Statements
C: Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
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