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Structure

Benzeneacetonitrile,2,3,6-trifluoro-

CAS
114152-21-5
Catalog Number
ACM114152215
Category
Other Products
Molecular Weight
171.12
Molecular Formula
C8H4F3N

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Specification

Synonyms
ZINC04290230, 2,3,6-Trifluorophenylacetonitrile, JRD-0369, CID2777956, LT03496956, 114152-21-5
IUPAC Name
2-(2,3,6-trifluorophenyl)acetonitrile
Canonical SMILES
C1=CC(=C(C(=C1F)CC#N)F)F
InChI Key
PQIFHBOOYBTJLD-UHFFFAOYSA-N
Boiling Point
209.2ºC at 760mmHg
Flash Point
80.3ºC
Density
1.334g/cm³
Exact Mass
171.03000
Hazard Statements
T: Toxic;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36/37/39
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