Methyl 3-cyanobenzoate

CAS No.：13531-48-1

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Methyl 3-cyanobenzoate Basic information

Product Name:	Methyl 3-cyanobenzoate
Synonyms:	3-CYANOBENZOIC ACID METHYL ESTER;RARECHEM AL BF 0051;3-Cyanobenzok Acid Methyl Ester;Mehyl3-Cyanobenzaldehyde;Methyl m-cyanobenzoate;3-(Methoxycarbonyl)benzonitrile;Methyl 3-cyanobenzoate, 95+%;3-CN-C6H4-COOCH3
CAS:	13531-48-1
MF:	C9H7NO2
MW:	161.16
EINECS:	620-003-6
Product Categories:	Aromatic Esters
Mol File:	13531-48-1.mol

Methyl 3-cyanobenzoate Chemical Properties

Melting point	58 °C
Boiling point	267.2±23.0 °C(Predicted)
density	1.18±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Solid
color	White to Off-White
LogP	1.82
CAS DataBase Reference	13531-48-1(CAS DataBase Reference)
NIST Chemistry Reference	3-CN-C6H4-COOCH3(13531-48-1)
EPA Substance Registry System	Benzoic acid, 3-cyano-, methyl ester (13531-48-1)

Safety Information

Hazard Codes	Xn
Risk Statements	20/21/22
Safety Statements	22-26-36/37/39
HS Code	2916399090

MSDS Information

Methyl 3-cyanobenzoate Usage And Synthesis

Chemical Properties	White crystal
Uses	3-Cyanobenzoic Acid Methyl Ester, is an intermediate for the synthesis of 3-Carbamoylbenzoic Acid Derivatives as Inhibitors of Human Apurinic/Apyrimidinic Endonuclease 1 (APE1). It can also be used for the preparation of 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid Sodium Salt (F596070).

Methyl 3-cyanobenzoate Preparation Products And Raw materials

Preparation Products

Ataluren (PTC124)

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