2-Biphenylcarboxylic acid
Synonym(s):2-Phenylbenzoic acid
- CAS NO.：947-84-2
- Empirical Formula: C13H10O2
- Molecular Weight: 198.22
- MDL number: MFCD00002463
- EINECS: 213-432-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 2-Biphenylcarboxylic acid?
Chemical properties
2-Biphenylcarboxylic acid is White powder
The Uses of 2-Biphenylcarboxylic acid
2-Biphenylcarboxylic acid is used in the preparation of neuropeptide FF receptor antagonists. In addition it is used in the synthesis of disubstituted piperidines as orexin receptor antagonists.
The Uses of 2-Biphenylcarboxylic acid
It is used as a pharmaceutical intermediate. he reaction of 2?-substituted biphenyl-2-carboxylic acids (where the 2?-substituent is H, CO2H, NO2, Cl, OMe, or CO2Me) with lead tetra-acetate in refluxing benzene solution, under a nitrogen atmosphere, affords 3,4-benzocoumarin as a major organic product.
Synthesis Reference(s)
The Journal of Organic Chemistry, 43, p. 447, 1978 DOI: 10.1021/jo00397a015
Purification Methods
Crystallise the acid from *C6H6/pet ether or aqueous EtOH. [Beilstein 9 IV 2472.]
Properties of 2-Biphenylcarboxylic acid
| Melting point: | 111-113 °C(lit.) |
| Boiling point: | 199 °C10 mm Hg(lit.) |
| Density | 1.1184 (rough estimate) |
| refractive index | 1.5954 (estimate) |
| Flash point: | 343-344°C |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 3.46(at 25℃) |
| color | White to beige |
| Water Solubility | insoluble |
| BRN | 974075 |
| CAS DataBase Reference | 947-84-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Biphenylcarboxylic acid(947-84-2) |
Safety information for 2-Biphenylcarboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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-Biphenylcarboxylic acid
| InChIKey | ILYSAKHOYBPSPC-UHFFFAOYSA-N |
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