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Structure

Benzene,4-isothiocyanato-1,2-dimethyl-

CAS
19241-17-9
Catalog Number
ACM19241179
Category
Other Products
Molecular Weight
163.24
Molecular Formula
C9H9NS

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Specification

Synonyms
3,4-Xylyl isothiocyanate, 3,4-Dimethylphenyl isothiocyanate, 4-Isothiocyanato-1,2-dimethylbenzene, CID140500, ZINC00164212, T0520-2880, 19241-17-9
IUPAC Name
4-isothiocyanato-1,2-dimethylbenzene
Canonical SMILES
CC1=C(C=C(C=C1)N=C=S)C
InChI Key
JFSHJWKBNJMGOK-UHFFFAOYSA-N
Boiling Point
278.9ºC at 760 mmHg
Flash Point
124.9ºC
Density
1.01 g/cm³
Appearance
liquid
Exact Mass
163.04600
Hazard Statements
Xi: Irritant;C: Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26-36/37/39
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