2,4-Dichlorobenzoyl alcohol
2,4-Dichlorobenzyl alcohol
CAS: 1777-82-8
Molecular Formula: C7H6Cl2O
2,4-Dichlorobenzoyl alcohol - Names and Identifiers
| Name | 2,4-Dichlorobenzyl alcohol |
| Synonyms | Dybenal myacidesp Rapidosept 2,4-DICHLOROBENZL ALCOHOL 2,4-dichloro-benzylalcoho 2,4-Dichlorobenzyl alcohol 2,4-Dichlorobenzoyl alcohol benzylalcohol,2,4-dichloro- Benzenemethanol, 2,4-dichloro- 30) 2,4-DICHLORO BENZYL ALCOHOL |
| CAS | 1777-82-8 |
| EINECS | 217-210-5 |
| InChI | InChI=1/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| InChIKey | DBHODFSFBXJZNY-UHFFFAOYSA-N |
2,4-Dichlorobenzoyl alcohol - Physico-chemical Properties
| Molecular Formula | C7H6Cl2O |
| Molar Mass | 177.03 |
| Density | 1.2970 (rough estimate) |
| Melting Point | 55-58°C(lit.) |
| Boling Point | 150 °C (25 mmHg) |
| Flash Point | >230°F |
| Water Solubility | Soluble in water, methanol and chloroform. |
| Solubility | 1g/l |
| Vapor Presure | 0.154Pa at 25℃ |
| Appearance | White to bright yellow crystals |
| Color | White to Off-White |
| Merck | 14,3060 |
| BRN | 1448652 |
| pKa | 13.60±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5756 (estimate) |
| MDL | MFCD00004606 |
| Use | Used as a pharmaceutical Intermediate |
2,4-Dichlorobenzoyl alcohol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | DO0890000 |
| HS Code | 29062900 |
| Hazard Note | Irritant |
2,4-Dichlorobenzoyl alcohol - Reference Information
| LogP | 2.8 at 24℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | 2, 4-dichlorobenzyl alcohol is an organic intermediate that can be prepared by acidolysis of 2, 4-dichlorobenzonitrile 2, 4-dichlorobenzoic acid is reduced to 2, 4-dichlorobenzyl alcohol or by hydrolysis of 2, 4-dichlorobenzyl chloride. |
| preparation | 2, 4-dichlorobenzonitrile (17.2g,0.1mol) was added into a 100mL round bottom flask, sulfuric acid (9.8g,0.1mol) solution was added dropwise, after the dropwise addition, heat preservation reaction was carried out at 125-130 ℃ for 2 hours, the reaction was completed, cooling to below 100 ℃, water was added to dilute, and cooling to below 50 ℃, stratifying, removing raw materials, dewatering and concentrating the obtained solution under reduced pressure to half, cooling and crystallization to obtain 17.38g of 2,4-dichlorobenzoic acid with a yield of 91%. Add 2,4-dichlorobenzoic acid (19.1g,0.1mol) and ethanol (30mL) into a 100mL round bottom flask, then slowly drop a mixed solution of NaBH4(1.9g,0.05mol) and alkenine (10mL, 2% sodium hydroxide solution) at 0 ℃, drop and stir for reaction for 1h, filter, and wash the filter residue three times (5mL × 3) with ethanol, the obtained organic phase was distilled to obtain 15.05g of 2,4-dichlorobenzyl alcohol with a yield of 85%. |
| biological activity | 2,4-Dichlorobenzyl alcohol is a mild preservative that can kill bacteria and viruses related to mouth and throat infections. |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-09 21:01:54
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