2-CYANOBENZOIC ACID
2-CYANOBENZOIC ACID
  • CAS No.:3839-22-3
Other grades of this product :
2-CYANOBENZOIC ACID Basic information
Product Name:2-CYANOBENZOIC ACID
Synonyms:Benzoic acid, 2-cyano-;2-CARBOXYBENZONITRILE;2-CYANOBENZOIC ACID;RARECHEM AL BE 0698;O-CYANOBENZOIC ACID;TIMTEC-BB SBB008461;2-Cyano Benzoic Acid o-Cyano Benzoic Acid;Benzoic acid, 2-cyano- (9CI)
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 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 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.
Uses2-Cyanobenzoic acid may be used to synthesize phthalamidine.
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

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