(R)-(4-chlorophenyl)(phenyl)methanol
4-Chlorobenzhydrol
CAS: 119-56-2
Molecular Formula: C13H11ClO
(R)-(4-chlorophenyl)(phenyl)methanol - Names and Identifiers
| Name | 4-Chlorobenzhydrol |
| Synonyms | AURORA KA-7061 Chlorobenzhydrol 4-Chlorobenzhydrol 4-Chlorobenzohydrol P-CHLORO BENZHYDROL Benzhydrol, 4-chloro- Benzhydrol, p-chloro- 4-Chlorodiphenylcarbinol 4-Chlorodiphenylmethanol 4-chlorobenzhydryl alcohol (4-Chlorophenyl)phenylmethanol 4-Chlororphenyl phenyl carbinol (4-chlorophenyl)(phenyl)methanol (R)-(4-chlorophenyl)(phenyl)methanol (S)-(4-chlorophenyl)(phenyl)methanol 4-chloro-alpha-phenyl-benzenemethano |
| CAS | 119-56-2 |
| EINECS | 204-333-4 |
| InChI | InChI=1/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m1/s1 |
(R)-(4-chlorophenyl)(phenyl)methanol - Physico-chemical Properties
| Molecular Formula | C13H11ClO |
| Molar Mass | 218.68 |
| Density | 1.1178 (rough estimate) |
| Melting Point | 58-60 °C (lit.) |
| Boling Point | 150-151°C 2,6mm |
| Flash Point | 150-151°C/2.6mm |
| Water Solubility | insoluble |
| Solubility | insoluble |
| Vapor Presure | 1.45E-05mmHg at 25°C |
| Appearance | White to white-like powder |
| Color | White to Off-White |
| BRN | 2050235 |
| pKa | 13.34±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5260 (estimate) |
| MDL | MFCD00004491 |
(R)-(4-chlorophenyl)(phenyl)methanol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29062990 |
(R)-(4-chlorophenyl)(phenyl)methanol - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used to make anti-allergic drug cetirizine. 4-Chlorobenzyl alcohol is a pharmaceutical intermediate, used for cetirizine, hydroxyzine hydrochloride, and cough. |
| Production method | It is obtained by condensation and reduction of benzoyl chloride. 1. Condensation in a dry reaction pot, add chlorobenzene and anhydrous aluminum trichloride, stir and raise the temperature to 50 ℃, and add benzoyl chloride dropwise. After addition, react at 100-110 ℃ for 5.5h, slowly put into slightly acidic ice water, stir evenly, let stand, separate the supernatant, precipitate and filter, wash the water until neutral, and spin dry. 4-Chlorobenzophenone. The yield was 95%. 2. Reduction 4-chlorobenzophenone and liquid alkali are added to the reaction pot, stirred and heated to 100 ℃, zinc powder is slowly added, and the temperature is controlled at 110-125 ℃. After adding, the reaction was 8h. Let stand, divide the oil layer, wash with hot water and a small amount of hydrochloric acid, then wash with hot water until pH is 6.5, add benzene, stir and dissolve. Let it stand, separate the benzene layer, steam the benzene, and the remaining liquid is the finished product. |
Last Update：2024-04-09 21:32:03
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