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Structure

Benzene,1-ethyl-2-isothiocyanato-

CAS
19241-19-1
Catalog Number
ACM19241191
Category
Other Products
Molecular Weight
163.2395
Molecular Formula
C9H9 N S

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Specification

Synonyms
2-Ethylphenyl isothiocyanate, 475963_ALDRICH, ZINC00164774, BBV-104642, CID2796213, 19241-19-1
IUPAC Name
1-ethyl-2-isothiocyanatobenzene
Canonical SMILES
CCC1=CC=CC=C1N=C=S
InChI Key
OVAFDUCMHLFDIG-UHFFFAOYSA-N
Boiling Point
249ºC
Flash Point
115.1ºC
Density
1.076 g/mL at 25 °C(lit.)
Exact Mass
163.04600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
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