3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile

About This Item

Molecular Formula	C₁₃H₁₇NO₂
CAS Number	20850-49-1

FC-0834643

Request a Quote Bulk Order Inquiry

Technical Service

Need help? Our experienced chemists are ready to assist you.

Let Us Assist →

Properties

Chemical Identifiers

IUPAC Name	2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile
SMILES	CC(C)C(C#N)C1=CC(=C(C=C1)OC)OC
InChI Key	NFXAXMOAVPLEBH-UHFFFAOYSA-N
InChI	InChI=1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3

Physical Properties

Boiling Point	327.3±37.0 °C at 760 mmHg
Melting Point	46-49ºC
Flash Point	114.5±19.7 °C
Density	1.0±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

114.5±19.7 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.