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2,2,2-Trichlor-1-phenylethanol
efiran99 · AURORA KA-7035 · TIMTEC-BB SBB008085 · trichloromethylphenylcarbinol · phenyl(trichloromethyl)carbinol · 1-PHENYL-2,2,2-TRICHLOROETHANOL · 2,2,2-TRICHLORO-1-PHENYLETHANOL · A-(TRICHLOROMETHYL)BENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 2000-43-3 |
|---|---|
| Summenformel | C8H7Cl3O |
| Durchschnittliche Molmasse | 225,5 g/mol |
| Monoisotopische Masse | 223,956248 g/mol |
| SMILES | OC(c1ccccc1)C(Cl)(Cl)Cl |
| InChIKey | ABFRBTDJEKZSRM-UHFFFAOYSA-N |
| PubChem CID | 16150 |
| EC No. | 217-887-7 |
| DTXSID | DTXSID7051842 |
| Lokaler Name | 2,2,2-Trichlor-1-phenylethanol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 37 °C |
| Siedepunkt | 93-96°C 0,8mm |
| Dichte | 1.4250 (rough estimate) |
| Brechungsindex | 1.5690 |
| Flammpunkt | 93-96°C/0.8mm |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 11.92±0.20(Predicted) |
| Löslichkeit | Not miscible in water. |
| BRN | 510385 |
| CAS Datenbank | 2000-43-3(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenemethanol, .alpha.-(trichloromethyl)- (2000-43-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, .alpha.-(trichloromethyl)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (20%) |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | DP1325000 |
| R-Sätze (R) | 36/38 |
| Toxizität | LDLo scu-rat: 790 mg/kg JPETAB 24,405,24 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
2,2,2-Trichloro-1-phenylethanol is used as pharmaceutical intermediate.