2-Cyanomethylbenzoic acid methyl ester

Catalog Number

ACM5597046

Product Name

2-Cyanomethylbenzoic acid methyl ester

Structure

CAS

5597-04-6

Category

Heterocyclic Organic Compound

Synonyms

methyl 2-cyanomethylbenzoate, Methyl 2-(cyanomethyl)benzoate, 5597-04-6, 2-CYANOMETHYLBENZOIC ACID METHYL ESTER, 2-(Cyanomethyl)benzoic Acid Methyl Ester, 55970-40-6, AC1LBTO7, ACMC-1AK9Q, o-Toluic acid, .alpha.-cyano-, methyl ester, AC1Q43JY, SureCN2427784, KSC494A9H, CTK3J4093, MolPort-001-791-736, ACT07390, ANW-13993, CL8537, ZINC02381659, AKOS000121429, AG-F-96232

IUPAC Name

methyl 2-(cyanomethyl)benzoate

Molecular Weight

175.18

Molecular Formula

C₁₀H₉NO₂

Canonical SMILES

COC(=O)C1=CC=CC=C1CC#N

InChI Key

CMADSXVGXNLKHA-UHFFFAOYSA-N

Boiling Point

133ºC / 1.5mmHg

Melting Point

49ºC

Flash Point

149.6ºC

Density

1.141g/cm³

Exact Mass

175.06300

H-Bond Acceptor

3

H-Bond Donor

0

Safety Description

S26-S36-S37-S39

MSDS

COA

Spec Sheet