LABOTEST-BB LT02084792
4-Biphenylcarboxylic acid
CAS: 92-92-2
Molecular Formula: C13H10O2
LABOTEST-BB LT02084792 - Names and Identifiers
| Name | 4-Biphenylcarboxylic acid |
| Synonyms | PPD 4-Carboxydiphenyl 4-CARBOXYDIPHENYL RARECHEM AL BO 0062 TIMTEC-BB SBB008141 4-Phenylbenzoic acid 4-PHENYLBENZOIC ACID LABOTEST-BB LT02084792 4-biphenylbenzoic acid biphenyl-4-carboxylate 4-BIPHENYLCARBOXYLIC ACID 4-Biphenylcarboxylic acid Biphenyl-4-carboxylic acid BIPHENYL-4-CARBOXYLIC ACID DIPHENYL-4-CARBOXYLIC ACID potassium biphenyl-4-carboxylate |
| CAS | 92-92-2 |
| EINECS | 202-203-1 |
| InChI | InChI=1/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p-1 |
| InChIKey | NNJMFJSKMRYHSR-UHFFFAOYSA-N |
LABOTEST-BB LT02084792 - Physico-chemical Properties
| Molecular Formula | C13H10O2 |
| Molar Mass | 198.22 |
| Density | 1.1184 (rough estimate) |
| Melting Point | 220-225°C(lit.) |
| Boling Point | 295.53°C (rough estimate) |
| Flash Point | 170°C |
| Water Solubility | Insoluble in water. |
| Solubility | 0.03g/l |
| Vapor Presure | 3.28E-06mmHg at 25°C |
| Appearance | Solid |
| Color | White to beige |
| BRN | 973519 |
| pKa | 4.19±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5954 (estimate) |
| MDL | MFCD00002553 |
| Physical and Chemical Properties | Colorless needle-like crystals. Melting point 228 °c. Soluble in alcohol and ether, insoluble in water. |
| Use | This product is a polarographic reagent and an intermediate in organic synthesis. |
LABOTEST-BB LT02084792 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R51 - Toxic to aquatic organisms R36 - Irritating to the eyes R22 - Harmful if swallowed |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 1 |
| RTECS | DV1925100 |
| TSCA | Yes |
| HS Code | 29163900 |
| Hazard Note | Irritant |
LABOTEST-BB LT02084792 - Introduction
Easily soluble in alcohol and ether, insoluble in water.
Last Update：2022-10-16 17:30:10
LABOTEST-BB LT02084792 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 4-biphenylcarboxylic acid can be used as a pharmaceutical synthesis intermediate, such as the preparation of biphenyloxadiazole derivatives, the in vitro antibacterial activity test showed that the compounds had strong antifungal and antibacterial activity. |
| preparation | under the protection of argon, 4-bromobenzoic acid 2.75g(13.8mmol), phenylboronic Acid 2G (16.4mmol), k2co32.71 G (27.3mmol), tetrakis (triphenylphosphine) Palladium 0.2g was added to 40ml of dioxane solvent/water (10:1), and the temperature was raised to 75 ℃, the reaction was complete after 5h by TLC. The reaction solution was cooled, suction filtered, and the pH value was adjusted to 2-3. A large amount of white solid was generated, and suction filtration gave 2.30g of 4-biphenylcarboxylic acid as a white solid, with a yield of 84.9%. |
| purpose | This product is a polarographic analysis reagent and is also an intermediate in organic synthesis. for organic synthesis |
| production method | is obtained by reacting biphenyl with Chloroacetyl followed by oxidation with potassium permanganate. The biphenyl was dissolved in benzene, anhydrous aluminum trichloride was slowly added with stirring, and acetyl chloride was added dropwise with slight boiling. After addition, continue to heat and stir for 2H. The benzene was recovered to the end, and the reaction was poured into ice water to crystallize while hot. The crystals were reacted with potassium permanganate below 90 ° C., filtered, and neutralized to pH 2 with hydrochloric acid to obtain a crude product. After recrystallization from ethanol and acid-base precipitation, 4-phenylbenzoic acid was obtained. |
Last Update：2024-04-09 20:52:54
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