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

pka

pK1:3.14 (25°C)

color 

Clear colorless to light yellow or white to pale yellow

CAS DataBase Reference

3839-22-3(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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-CYANOBENZOIC ACID Usage And Synthesis

Chemical Properties

Off-white needles

Uses

2-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.

Uses

2-Cyanobenzoic acid may be used to synthesize phthalamidine.

General Description

2-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(3839-22-3)Related Product Information

• PHENETHYL SALICYLATE
• METHYL 2-CYANOBENZOATE
• METHYL 2-CYANO-5-METHOXYBENZOATE
• 2-Cyano-5-methoxybenzoic acid
• Benzoic acid, 2-cyano-5-fluoro- (9CI)
• 3,4,5,6-tetrachloro-2-cyanobenzoic acid ammonium salt
• 2-CYANOBENZOIC ACID
• 2-FLUORO-4-CYANOBENZOIC ACID
• 4-Cyanobenzoic acid 4-pentylphenyl ester
• 4-Cyanobenzoic acid 4-hexylphenyl ester
• METHYL 2-ISOTHIOCYANATOBENZOATE
• Methyl 2-bromo-5-cyanobenzoate
• 4-Cyanobenzoic acid 4-butylphenyl ester
• ETHYL 4-ISOCYANATOBENZOATE
• 3-bromomethyl-4-cyanobenzoic acid methyl ester
• 4-CYANOBENZOIC ACID METHYL ESTER,P-CYANOBENZOIC ACID METHYL ESTER
• Ethyl 3-methoxy-5-cyanobenzoate
• Methyl 4-amino-2-methoxy-5-thiocyanobenzoate