CAS
27327-67-9 Purity
96%
27327-67-9 Purity
96%
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Benzenepropanenitrile,b-oxo-3-(trifluoromethyl)-
CAS
27328-86-5
Catalog Number
ACM27328865
Category
Other Products
Molecular Weight
213.1559
Molecular Formula
C10H6F3NO
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Specification
Synonyms
Maybridge1_000123, MixCom1_000233, 3-Trifluoromethylbenzoylacetonitrile, ZINC00128855, CID520304, BBV-072736, 3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile, 27328-86-5
IUPAC Name
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
Canonical SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC#N
InChI Key
GEPORLBYZLQDOB-UHFFFAOYSA-N
Boiling Point
280ºC at 760 mmHg
Melting Point
58-60ºC
Flash Point
123.1ºC
Density
1.296 g/cm³
Exact Mass
213.04000
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
5
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
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