2-CYANOBENZOIC ACID

2-CYANOBENZOIC ACID Basic information
Product Name:2-CYANOBENZOIC ACID
Synonyms:2-CARBOXYBENZONITRILE;2-CYANOBENZOIC ACID;RARECHEM AL BE 0698;TIMTEC-BB SBB008461;2-Cyano Benzoic Acid o-Cyano Benzoic Acid;Benzoic acid, 2-cyano- (9CI);2-Cyanobenzoic acid,97%;2-Cyanobenzoic acid, 95% 1GR
CAS:3839-22-3
MF:C8H5NO2
MW:147.13
EINECS:
Product Categories:CARBOXYLICACID;C8;Carbonyl Compounds;Carboxylic Acids
Mol File:3839-22-3.mol
2-CYANOBENZOIC ACID Structure
2-CYANOBENZOIC ACID Chemical Properties
Melting point 212 °C (lit.)
Boiling point 341.9±25.0 °C(Predicted)
density 1.32±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Sparingly), Methanol (Slightly)
form Liquid or Low Melting Solid
pkapK1:3.14 (25°C)
color Clear colorless to light yellow or white to pale yellow
CAS DataBase Reference3839-22-3(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36/37/39-36
RIDADR 3439
WGK Germany 3
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2-CYANOBENZOIC ACID Usage And Synthesis
Chemical PropertiesOff-white needles
Uses2-Cyanobenzoic acid may be used to synthesize phthalamidine.
Uses2-Cyanobenzoic acid has been used as reactant in the synthesis of T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives, Benzoate modified β-cyclodextrin derivatives and Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors. As a reactant involved in decarboxylation, decarboxylative halogenation and protodecarboxylation.
General Description2-Cyanobenzoic acid can be prepared from phthalic anhydride. Mass spectrophotometry, NMR, IR are extremely useful techniques to determine the ring-chain tautomeric equilibrium of 2-cyanobenzoic acid in all three phases. The standard (p° = 0.1MPa) molar enthalpy of formation of 2-cyanobenzoic acid is -(150.7 ± 2.0) kJ.mol-1.
2-CYANOBENZOIC ACID Preparation Products And Raw materials
Preparation Products4-(2-Cyanophenyl)benzaldehyde
METHYL 4-CHLORO-2-CYANOBENZOATE 5-amino-2-cyanobenzoic acid ETHYL 2-CYANOBENZOATE 2-cyano-3-nitrobenzoic acid ethyl 2-cyano-4-nitrobenzoate 2-Cyano-5-methoxybenzoic acid 5-(tert-butoxycarbonylamino)-2-cyanobenzoate 3,4,5,6-tetrachloro-2-cyanobenzoic acid ammonium salt METHYL 2-CYANO-5-METHOXYBENZOATE 2-cyano-4-nitrobenzoic acid 3-(tert-butoxycarbonylamino)-2-cyanobenzoic acid 2-CYANO-6-FLUOROBENZOIC ACID METHYL 5-CHLORO-2-CYANOBENZOATE 2-cyano-5-nitrobenzoic acid 3-cyanonaphthalene-2-carboxylic acid Benzoic acid, 2-cyano-5-fluoro- (9CI) METHYL 2-CYANOBENZOATE AKOS 227-90

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