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Structure

Benzene,1-chloro-4-(2-isothiocyanatoethyl)-

CAS
17608-10-5
Catalog Number
ACM17608105
Category
Other Products
Molecular Weight
197.68
Molecular Formula
C9H8 Cl N S

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Specification

Synonyms
591378_ALDRICH, 2-(4-Chlorophenethyl) isothiocyanate, ZINC02390111, 2-(4-Chlorophenethyl)isothiocyanate, 2-(4-Chlorophenethyl) isothicyanate, CID140257, 1-Chloro-4-(2-isothiocyanatoethyl)benzene, 2-(4-Chlorophenyl)ethyl isothiocyanate, 17608-10-5
IUPAC Name
1-chloro-4-(2-isothiocyanatoethyl)benzene
Canonical SMILES
C1=CC(=CC=C1CCN=C=S)Cl
InChI Key
MRJJYUJULSZFDV-UHFFFAOYSA-N
Boiling Point
311ºC at 760mmHg
Flash Point
141.9ºC
Density
1.215 g/mL at 25 °C(lit.)
Exact Mass
197.00700
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
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