527742

2-Cyanobenzoesäure

technical grade

• Synonym(e): o-Carboxybenzonitrile, NSC 193443
• Lineare Formel: NCC₆H₄CO₂H
• CAS-Nummer: 3839-22-3
• Molekulargewicht: 147.13
• MDL-Nummer: MFCD00045796
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24874642
• NACRES: NA.22

Eigenschaften

• Qualität: technical grade
• Form: solid
• mp (Schmelzpunkt): 212 °C (lit.)
• Funktionelle Gruppe: 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)
• InChIKey: DTNSDCJFTHMDAK-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

2-Cyanobenzoic acid may be used to synthesize phthalamidine.

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

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type N95 (US)