ChemicalBook--->CAS DataBase List--->1129-35-7

1129-35-7

1129-35-7 Structure

1129-35-7 Structure
IdentificationMore
[Name]

Methyl 4-cyanobenzoate
[CAS]

1129-35-7
[Synonyms]

4-CYAN-BENZOIC ACID-METHYL ESTER
4-CYANOBENZOIC ACID METHYL ESTER
LABOTEST-BB LT00159784
METHYL 4-CYANOBENZOATE
METHYL P-CYANOBENZOATE
P-CYANOBENZOIC ACID METHYL ESTER
RARECHEM AL BF 0074
SPECS AC-907/25014377
Benzoic acid, 4-cyano-, methyl ester
Benzoic acid, p-cyano-, methyl ester
Cyanbenzoicacidmethylester
Methyl-4-Cyanobenoate
Methyl 4-cyanobenzoate 98%
4-Cyanobenzoic acid methyl
[EINECS(EC#)]

214-443-4
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD00001823
[Molecular Weight]

161.16
[MOL File]

1129-35-7.mol
Chemical PropertiesBack Directory
[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]

1129-35-7(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[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-->Tris(4-cyanophenyl)methanol-->METHYL 4-(4-HYDROXY-5-METHYL-1,3-THIAZOL-2-YL)BENZENECARBOXYLATE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 4-cyanobenzoate(1129-35-7).msds
Hazard InformationBack Directory
[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%).
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-cyanobenzoate(1129-35-7)1HNMR
Methyl 4-cyanobenzoate(1129-35-7)IR
Methyl 4-cyanobenzoate(1129-35-7)FT-IR
Methyl 4-cyanobenzoate(1129-35-7)Raman
Methyl 4-cyanobenzoate(1129-35-7)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl 4-cyanobenzoate, 99%(1129-35-7)
[Sigma Aldrich]

1129-35-7(sigmaaldrich)
[TCI AMERICA]

Methyl 4-Cyanobenzoate,>95.0%(GC)(1129-35-7)
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