4-Iodo-2-(trifluoromethyl)benzonitrile

Catalog Number	ACM101066879
CAS Number	101066-87-9
Structure
Synonyms	4-Cyano-3-(trifluoromethyl)iodobenzene
IUPAC Name	4-iodo-2-(trifluoromethyl)benzonitrile
Molecular Weight	297.02
Molecular Formula	C8H3F3IN
Canonical SMILES	C1=CC(=C(C=C1I)C(F)(F)F)C#N
InChI	InChI=1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
InChI Key	RBRTXKYFMXVIER-UHFFFAOYSA-N
Boiling Point	282.3±40.0 °C
Melting Point	50-55 °C
Purity	98%+
Density	1.95±0.1 g/ml
Appearance	White to Yellow to Orange powder to crystal