Methyl 4-cyanobenzoate

CAS No.：1129-35-7

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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 4-cyanobenzoate Basic information

Product Name:	Methyl 4-cyanobenzoate
Synonyms:	Benzoic acid, 4-cyano-, methyl ester;Benzoic acid, p-cyano-, methyl ester;RARECHEM AL BF 0074;SPECS AC-907/25014377;P-CYANOBENZOIC ACID METHYL ESTER;METHYL 4-CYANOBENZOATE;LABOTEST-BB LT00159784;METHYL P-CYANOBENZOATE
CAS:	1129-35-7
MF:	C9H7NO2
MW:	161.16
EINECS:	214-443-4
Product Categories:	Organic Building Blocks;Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Aromatic Esters
Mol File:	1129-35-7.mol

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)
Fp	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 Information

Provider	Language
Methyl 4-cyanobenzoate	English
SigmaAldrich	English
ALFA	English

Methyl 4-cyanobenzoate Usage And Synthesis

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

Methyl 4-cyanobenzoate Preparation Products And Raw materials

Raw materials	Hydrochloric acid-->Methanol-->Diethyl ether-->Sodium methoxide-->1,4-Dicyanobenzene
Preparation Products	Tranexamic Acid-->3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->Benzoic acid, 4-cyano-, hydrazide (9CI)-->4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE-->(4-AMINOMETHYL-PHENYL)-METHANOL

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