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Structure

Benzene,1-chloro-2-isothiocyanato-4-(trifluoromethyl)-

CAS
23165-49-3
Catalog Number
ACM23165493
Category
Other Products
Molecular Weight
237.63
Molecular Formula
C8H3ClF3NS

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Specification

Synonyms
474886_ALDRICH, NSC172980, BB_SC-1826, CID141005, ZINC00057101, 2-Chloro-5-trifluoromethylphenyl isothiocyanate, 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate, 23165-49-3
IUPAC Name
1-chloro-2-isothiocyanato-4-(trifluoromethyl)benzene
Canonical SMILES
C1=CC(=C(C=C1C(F)(F)F)N=C=S)Cl
InChI Key
KHTMKXDMVYHDSY-UHFFFAOYSA-N
Boiling Point
127ºC(35 torr)
Flash Point
>230 °F
Density
1.45
Appearance
Pale yellow or pin
Exact Mass
236.96300
Hazard Statements
C: Corrosive;T: Toxic;
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
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