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3-Bromo-5-(trifluoromethyl)benzonitrile

Catalog Number ACM691877039
CAS Number 691877-03-9
Synonyms Benzonitrile, 3-bromo-5-(trifluoromethyl)-
IUPAC Name 3-bromo-5-(trifluoromethyl)benzonitrile
Molecular Weight 250.02
Molecular Formula C8H3BrF3N
Canonical SMILES C1=C(C=C(C=C1C(F)(F)F)Br)C#N
InChI InChI=1S/C8H3BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key KZFVJLGAVFCPAZ-UHFFFAOYSA-N
Boiling Point 216.0±35.0 °C
Flash Point 84.458ºC
Purity 98%+
Density 1.71±0.1 g/ml