Methyl 4-cyanobenzoate Chemical Properties

Melting point:

65-67 °C(lit.)

Boiling point:

142-144 °C12 mm Hg(lit.)

Density 

1.2480 (rough estimate)

refractive index 

1.5050 (estimate)

Flash point:

142-144°C/12mm

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform, Ethyl Acetate

form 

Crystalline Powder

color 

White to off-white

Water Solubility 

Insoluble in water. Soluble in chloroform and ethyl acetate.

BRN 

1866980

InChIKey

KKZMIDYKRKGJHG-UHFFFAOYSA-N

CAS DataBase Reference

1129-35-7(CAS DataBase Reference)

NIST Chemistry Reference

4-Cyanobenzoic acid methyl ester(1129-35-7)

EPA Substance Registry System

Methyl 4-cyanobenzoate (1129-35-7)

Safety Information

Risk Statements 

20/21/22-36/37/38

Safety Statements 

22-24/25-60-36/37-26-9

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Harmful

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:Methyl 4-cyanobenzoate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Methyl 4-cyanobenzoate Usage And Synthesis

Description

Methyl 4-cyanobenzoate, which is 4-cyanobenzoic acid or its methyl ester, is an intermediate used in various applications, such as pharmaceuticals, pesticides, precursors of liquid crystals, and/or functional polymer monomers.

Chemical Properties

Off-White Solid

Uses

Methyl 4-Cyanobenzoate (cas# 1129-35-7) is a compound useful in organic synthesis.

Synthesis Reference(s)

Synthesis, p. 750, 1991 DOI: 10.1055/s-1991-26566

Synthesis

m-Cyanobenzamide (73.0 g, 0.5 mol), which has a purity of 99% or more and methanol (460.3 g) were placed in a 2 l-separable flask. The mixture was allowed to react at 64° C. for 12 hours while a 20% hydrochloric acid/methanol solution (162.4 g) prepared in advance was added to it with stirring. Gas chromatographic analysis revealed that the reaction mixture contained 74.9 g of Methyl 4-cyanobenzoate (yield 93%).

Methyl 4-cyanobenzoate(1129-35-7)Related Product Information

• Ethyl 4-cyanobenzoate
• Methyl 4-formylbenzoate
• Methyl 4-fluorobenzoate
• Methyl 4-ethoxybenzoate
• METHYL 4-FLUOROBENZOYLACETATE
• 4-(Hydroxymethyl)phenoxyacetic acid
• Sodium methylparaben
• Sodium propylparaben
• Methyl benzoate
• METHYL 2-CYANOBENZOATE
• METHYL 3-CYANOBENZOATE,Methyl m-cyanobenzoate
• Methyl 4-cyanobenzoate
• 5-Cyanophthalide
• Methyl 4-cyano-3-fluorobenzoate
• 4-Cyanobenzoic acid
• ETHYL 4-CYANO-3-NITROBENZOATE
• Hydroquinone, mono(p-cyanobenzoate) (8CI)
• Methyl 2-bromomethyl-4-cyanobenzoate