CAS 109-75-1 Allyl Cyanide - Materials / Alfa Chemistry

NAVIGATION

Allyl Cyanide

PRICE INQUIRY

Catalog Number

ACM109751-1

CAS Number

109-75-1

Product Name

Allyl Cyanide

Category

Monomers

Description

Liquid

IUPAC Name

but-3-enenitrile

Molecular Weight

67.09g/mol

Molecular Formula

C4H5N

Canonical SMILES

C=CCC#N

InChI

InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2

InChI Key

SJNALLRHIVGIBI-UHFFFAOYSA-N

Boiling Point

119.0 °C

Melting Point

-87.0 °C;-87°C

Application

Allyl cyanide, a clear colorless to yellow liquid with a green onion-like odor, is predominantly used for its anti-microbial properties and as a pharmaceutical intermediate. Although its solubility in water is minimal, it is soluble in alcohol and ether, making it versatile for various applications. The compound is derived from hydrogen cyanide by replacing the hydrogen with an allyl group, classifying it as an aliphatic nitrile. Furthermore, allyl cyanide acts as a neurotoxin, plant metabolite, and antifeedant, but its toxic nature is primarily due to cyanide release. It is also noteworthy as a degradation product of allyl isothiocyanate, a natural compound in plants known for potent antimicrobial activity.

Complexity

Covalently-Bonded Unit Count

EC Number

203-701-1

Exact Mass

67.042199g/mol

Formal Charge

Heavy Atom Count

Log P

0.4 (LogP);0.40

MeSH Entry Terms

3-butenenitrile;allyl cyanide;allylnitrile