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m-(1-Cyanoethyl)benzoic acid

m-(1-Cyanoethyl)benzoic acid Basic information
Product Name:m-(1-Cyanoethyl)benzoic acid
Synonyms:Benzoic acid,3-(1-cyanoethyl)-;CEBA;3-(1-cyanoethyl)-benzoicaci;3-(1-Cyanoethyl)benzolcacid;3-(1-CYANOETHYL)BENZOIC ACID;3-(1-Cyanoethyl)benzoophenone;Cyano Ethyl benzoic acid;3-(1-Cyanoethyl)benzoic
CAS:5537-71-3
MF:C10H9NO2
MW:175.18
EINECS:226-897-0
Product Categories:Pharmaceutical raw material;API;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C10;Carbonyl Compounds;Carboxylic Acids;Organic acids;(intermediate of ketoprofen)
Mol File:5537-71-3.mol
m-(1-Cyanoethyl)benzoic acid Structure
m-(1-Cyanoethyl)benzoic acid Chemical Properties
Melting point 145-148 °C (lit.)
Boiling point 355.8±25.0 °C(Predicted)
density 1.204±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
pka3.96±0.10(Predicted)
form Solid
color White to Off-White
CAS DataBase Reference5537-71-3(CAS DataBase Reference)
Safety Information
Hazard Codes Xn
Risk Statements 22-41-43
Safety Statements 26-36/37/39-36/37/38
WGK Germany 3
HS Code 2926907090
MSDS Information
ProviderLanguage
SigmaAldrich English
m-(1-Cyanoethyl)benzoic acid Usage And Synthesis
Uses3-(1-Cyanoethyl)benzoic Acid is a intermediate for the synthetic preparation of various pharmaceutical compounds. 3-(1-Cyanoethyl)benzoic Acid was used in studies examining the enantioselectivity of n itrile hydratases.
Uses3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.
DefinitionChEBI: Benzoic acid meta-substituted with a 1-cyanoethyl group.
m-(1-Cyanoethyl)benzoic acid Preparation Products And Raw materials
Preparation Products3-(1-cyanoethyl)benzoyl chloride
3-(1-cyanoethyl)benzoic acid (intermediate of ketoprofen),3-(1-cyanoethyl)benzoic acid (intermediate of ketoprofen) Methylparaben 2-Iodobenzoic acid 4-Hydroxybenzoic acid Ethyl 2-(Chlorosulfonyl)acetate AQUANTRAAL Ascoric Acid 4-Aminobenzoic acid p-Nitrobenzoic acid RARECHEM AL BS 0217 RARECHEM AL BY 0273 Folic acid m-(1-Cyanoethyl)benzoic acid Benzoic acid Anthranilic acid Estradiol benzoate BENZOICACID Citric acid
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