Benzhydrol
Benzhydrol
CAS: 91-01-0
Molecular Formula: C13H12O
Benzhydrol - Names and Identifiers
| Name | Benzhydrol |
| Synonyms | Benzhydrol BENZHYDROL BENZOHYDROL DIPHENYLCARBINOL Diphenylmethanol Diphenylcarbinol DIPHENYLMETHANOL Diphenyl-methanol) Benzhydryl alcohol benzhydryl alcohol HYDROXYDIPHENYL METHANE Trichlorethyl Benzoquinone ALPHA-PHENYLBENZENEMETHANOL Benzhydrol,(Diphenylcarbinol Benzenemethanol,alpha-phenyl- |
| CAS | 91-01-0 |
| EINECS | 202-033-8 |
| InChI | InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H |
Benzhydrol - Physico-chemical Properties
| Molecular Formula | C13H12O |
| Molar Mass | 184.24 |
| Density | 1.0120 (rough estimate) |
| Melting Point | 65-67 °C (lit.) |
| Boling Point | 297-298 °C (lit.) |
| Flash Point | 160 °C |
| Water Solubility | Slightly soluble in water. |
| Solubility | Easily soluble in ethanol, ether, chloroform and carbon disulfide. Solubility in water: 0.5g/L (20°C) |
| Vapor Presure | 0.000076 hPa (20 °C) |
| Appearance | White crystal |
| Color | White to beige |
| Merck | 14,1090 |
| BRN | 1424379 |
| pKa | 13.55±0.20(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, acids. |
| Refractive Index | 1.5727 (estimate) |
| MDL | MFCD00004488 |
| Physical and Chemical Properties | Colorless needle-like crystals, melting point 69 ℃, boiling point 298 ℃(1.0MPa), 180 ℃(2.67kPa). Soluble in ethanol, ether, chloroform and carbon disulfide. Solubility of 0.5g/L in water at 20 °c. |
| Use | Used as pharmaceutical intermediates, used in the synthesis of phenylcarmine, diphenhydramine and other drugs |
Benzhydrol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | DC7452000 |
| TSCA | Yes |
| HS Code | 29062900 |
| Hazard Note | Irritant |
| Toxicity | LD50 orally in Rabbit: 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
Benzhydrol - 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) |
| Introduction | diphenylmethanol, also known as α-phenylbenzyl alcohol, is an important organic intermediate, mainly used in the synthesis of diphenhydramine (antihistamine). Chlorphenhydramine (antihistamine), cyclezine (antihistamine), diphenylline (antihistamine), benzotropine (anticholinergic), modafinil (antidepressant), synthesis of drugs such as cinnarizine (vasodilator), and amefenil (central nervous system stimulant). |
| Application | diphenylmethanol Ester is an important class of compounds, which can be used as raw materials for a variety of reactions, for the synthesis of a wide variety of products. |
| preparation | the preparation method of diphenylmethanol provided by CN201210422917.1 includes the following steps: step S1: methanol, water, caustic soda, benzophenone and aluminum powder were sequentially added to the reaction vessel to fully react. Preferably, the concentration of methanol is 60-70%, most preferably, the concentration of methanol is 67.0±0.5%, and optimally 67%. Preferably, the molar ratio of benzophenone, aluminum powder and caustic soda in the reaction kettle is 1:0.9 to 1:1.1; Most preferably, benzophenone, the molar ratio of aluminum powder to caustic soda was 1:0.9:1.1. Specifically, the first step S1 is carried out in the following stages: first, in the first stage S11, methanol and water are added to the reaction vessel, and the temperature is maintained at 15 ° C, the concentration of methanol was measured with an alcohol hydrometer. Next, in the second stage S13, when the methanol concentration was 67%, the pellet was charged into the reaction vessel, and the temperature was raised to 60 °c. After sufficient stirring, the alkali concentration was determined by acid-base titration. In the third stage S 1 5, when the alkali concentration is 5.4 ~ 5.5%, benzophenone is added to the reaction kettle. After the benzophenone is put in, stir well, cool down to 47-54 ℃, and keep the temperature for a period of time. Preferably, the temperature is lowered to 47 °c for 5 minutes. In the fourth stage S1 7, under the condition that the above-mentioned temperature is not changed from 47 to 54 ° C., the aluminum powder is fed into the reaction vessel in several batches at intervals. The weight of the aluminum powder delivered each time is decreased, and the time interval of the aluminum powder delivered every two adjacent times is also decreased. Each time the aluminum powder must be added at a uniform rate of one spoonful. Preferably, the aluminum powder is administered for one minute per time. When the aluminum powder was administered, the temperature was increased to 50-55 °c and held for 30 minutes. |
| purpose | used as a pharmaceutical intermediate, used in the synthesis of drugs such as phenyltropine and diphenhydramine mainly used in organic synthesis, the pharmaceutical industry is an intermediate of diphenhydramine as a phenylcartol. intermediate of the drug acetazolamide |
Last Update：2024-04-09 02:00:12
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