β,β-Dimethylphenethyl chloride
1-Chloro-2-methyl-2-phenylpropane
CAS: 515-40-2
Molecular Formula: C10H13Cl
β,β-Dimethylphenethyl chloride - Names and Identifiers
| Name | 1-Chloro-2-methyl-2-phenylpropane |
| Synonyms | Neophyl chloride 3-Phenyl propane β,β-Dimethylphenethyl chloride 1-Chloro-2-phenyl-2-methylpropane 1-Chloro-2-methyl-2-phenylpropane (1-chloro-2-methylpropan-2-yl)benzene (1-Chloro-2-methylpropan-2-yl)benzene beta-Chloro-tert-butylbenzene~(2-Chloro-1,1-dimethylethyl)benzene~2,2-Dimethyl-2-phenylethyl chloride~Neophyl chloride |
| CAS | 515-40-2 |
| EINECS | 208-197-7 |
| InChI | InChI=1/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
β,β-Dimethylphenethyl chloride - Physico-chemical Properties
| Molecular Formula | C10H13Cl |
| Molar Mass | 168.66 |
| Density | 1.047 g/mL at 25 °C (lit.) |
| Melting Point | 36°C (estimate) |
| Boling Point | 95-96 °C/10 mmHg (lit.) |
| Flash Point | 198°F |
| Water Solubility | insoluble |
| Vapor Presure | 11.1Pa at 25℃ |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Merck | 14,6459 |
| BRN | 2042085 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.524(lit.) |
| Physical and Chemical Properties | Chloro tert-butyl benzene pure product is a colorless transparent flammable liquid, B. p.222 ℃, the relative density of 1.0601, industrial purity is greater than or equal to 98%. |
| Use | It is mainly used for the synthesis of the original drug of the tin, and can also be used as the intermediate of medicine, perfume and so on |
β,β-Dimethylphenethyl chloride - 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. |
| WGK Germany | 3 |
| HS Code | 29036990 |
β,β-Dimethylphenethyl chloride - Reference Information
| LogP | 4.16 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Chlorotert-butylbenzene is an important intermediate for the synthesis of acaricide benbutyltin. It is mainly used for the synthesis of phenylbutyltin original drugs, and can also be used as an intermediate in medicine, spices, etc. |
| Production method | Chloro-tert-butylbenzene is made from benzene and 2-methyl-3-chloropropene. 142kg of 2-methyl -3-chloropropene and 365kg of benzene were added into a 1000L enamel reactor, 180kg of sulfuric acid was added under stirring, the reaction was carried out at room temperature for 4~6h, and the waste acid was separated by standing. The benzene layer is washed with water until neutral, benzene is recovered by atmospheric distillation, and the product chloro-tert-butylbenzene is received by distillation at 94~96 ℃/1.33kPa under reduced pressure. |
Last Update：2024-04-09 02:00:05
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Product Name: 1-Chloro-2-methyl-2-phenylpropane Request for quotationCAS: 515-40-2
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