Methyl 4-cyanobenzoate, 99%

Description

CAS: 1129-35-7 | C9H7NO2 | 161.16 g/mol

It finds its application in the chemoselective biotransformation of nitriles by Rhodococcus equi A4 and in the design of 3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde as a reagent for ultrasensitive determination of primary amines by capillary electrophoresis using laser fluorescence detection.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It finds its application in the chemoselective biotransformation of nitriles by Rhodococcus equi A4 and in the design of 3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde as a reagent for ultrasensitive determination of primary amines by capillary electrophoresis using laser fluorescence detection.

Solubility
Insoluble in water. Soluble in chloroform and ethyl acetate.

Notes
Store away from oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.

Specifications

Chemical Identifiers

• CAS: 1129-35-7
• Molecular Formula: C9H7NO2
• Molecular Weight (g/mol): 161.16
• MDL Number: MFCD00001823
• InChI Key: KKZMIDYKRKGJHG-UHFFFAOYSA-N
• Synonym: 4-cyanobenzoic acid methyl ester, benzoic acid, 4-cyano-, methyl ester, methyl p-cyanobenzoate, unii-f8fms7o8xg, f8fms7o8xg, benzoic acid, p-cyano-, methyl ester, 4-cyano-benzoic acid methyl ester, methyl4-cyanobenzoate, methyl-4-cyanobenzoate, acmc-1bs5i
• PubChem CID: 70791
• IUPAC Name: methyl 4-cyanobenzoate
• SMILES: COC(=O)C1=CC=C(C=C1)C#N

• Melting Point: 65°C to 69°C
• Boiling Point: 142°C to 144°C (12 mmHg)
• Quantity: 100 g
• Beilstein: 1866980
• Solubility Information: Insoluble in water. Soluble in chloroform and ethyl acetate.
• Formula Weight: 161.16
• Percent Purity: 99%
• Chemical Name or Material: Methyl 4-cyanobenzoate

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H301-H311-H332-H315-H319-H335 Toxic if swallowed. Toxic in contact with skin. Harmful if inhaled. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
EINECSNumber	214-443-4
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only