3-Bromo-4-methylbenzonitrile

Catalog Number	ACM42872742
CAS Number	42872-74-2
Structure
Synonyms	Benzonitrile, 3-bromo-4-methyl-
IUPAC Name	3-bromo-4-methylbenzonitrile
Molecular Weight	196.04
Molecular Formula	C8H6BrN
Canonical SMILES	CC1=C(C=C(C=C1)C#N)Br
InChI	InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key	VXUMRYMTYKDWMO-UHFFFAOYSA-N
Boiling Point	259.1±20.0 °C
Melting Point	41-45 °C (lit.)
Purity	98%+
Density	1.51±0.1 g/ml