2-Cyanobenzoic acid
Synonym(s):o-Carboxybenzonitrile;NSC 193443
- CAS NO.：3839-22-3
- Empirical Formula: C8H5NO2
- Molecular Weight: 147.13
- MDL number: MFCD00045796
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-11-04 17:03:12
What is 2-Cyanobenzoic acid?
Chemical properties
Off-white needles
The Uses of 2-Cyanobenzoic acid
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.
The Uses of 2-Cyanobenzoic acid
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.
Properties of 2-Cyanobenzoic acid
| 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 for 2-Cyanobenzoic acid
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 2-Cyanobenzoic acid
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