527742

2-Cyanobenzoic acid

technical grade

• Sinónimos: o-Carboxybenzonitrile, NSC 193443
• Fórmula lineal: NCC₆H₄CO₂H
• Número de CAS: 3839-22-3
• Peso molecular: 147.13
• MDL number: MFCD00045796
• UNSPSC Code: 12352100
• PubChem Substance ID: 24874642
• NACRES: NA.22

Propiedades

• grade: technical grade
• form: solid
• mp: 212 °C (lit.)
• functional group: carboxylic acid; nitrile
• SMILES string: OC(=O)c1ccccc1C#N
• InChI: 1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
• InChI key: DTNSDCJFTHMDAK-UHFFFAOYSA-N

Descripción

General description

2-Cyanobenzoic acid can be prepared from phthalic anhydride.[1] Mass spectrophotometry, NMR, IR are extremely useful techniques to determine the ring-chain tautomeric equilibrium of 2-cyanobenzoic acid in all three phases.[2] The standard (p° = 0.1MPa) molar enthalpy of formation of 2-cyanobenzoic acid is -(150.7 ± 2.0) kJ.mol^-1.[3]

Application

2-Cyanobenzoic acid may be used to synthesize phthalamidine.[4]

Reactant involved in the synthesis of:

• T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives
• Benzoate modified β-cyclodextrin derivatives
• Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors

Reactant involved in:

• Decarboxylation
• Decarboxylative halogenation
• Protodecarboxylation

Información de seguridad

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)