| Identification | More | [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 Properties | Back 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 | [InChI]
1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3 | [InChIKey]
KKZMIDYKRKGJHG-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(cc1)C#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 Data | Back 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 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back 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%).
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