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(2-Chlor-1,1-dimethylethyl)benzol
-2-phenyL · 3-Phenyl propane · NEOPHYL CHLORIDE · Neophylchloride,98% · tert-Butylchlorobenzene · Chloro-2-Methyl-2-phenylp · β-chloro-tert-butylbenzene · á-chloro-tert-butylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 515-40-2 |
|---|---|
| Summenformel | C10H13Cl |
| Durchschnittliche Molmasse | 168,66 g/mol |
| Monoisotopische Masse | 168,0705781 g/mol |
| SMILES | CC(C)(CCl)c1ccccc1 |
| InChIKey | DNXXUUPUQXSUFH-UHFFFAOYSA-N |
| PubChem CID | 68191 |
| ChEMBL | CHEMBL3185006 |
| EC No. | 208-197-7 |
| DTXSID | DTXSID8027167 |
| Lokaler Name | (2-Chlor-1,1-dimethylethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 112 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 36°C (estimate) |
| Siedepunkt | 95-96 °C/10 mmHg (lit.) |
| Dichte | 1.047 g/mL at 25 °C (lit.) |
| Dampfdruck | 11.1Pa at 25℃ |
| Brechungsindex | n20/D 1.524(lit.) |
| Flammpunkt | 198 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | insoluble |
| Merck | 14,6459 |
| BRN | 2042085 |
| Henry-Konstante | 2.0×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | DNXXUUPUQXSUFH-UHFFFAOYSA-N |
| SMILES | CC(C)(CCl)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 4.16 |
| CAS Datenbank | 515-40-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Chloro-2-methyl-2-phenylpropane(515-40-2) |
| EPA chemische Informationen | Benzene, (2-chloro-1,1-dimethylethyl)- (515-40-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, (2-chloro-1,1-dimethylethyl)-T - indicates a substance that is the subject of a final TSCA section 4 test rule.Status: Active Update: 02-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22688(2-Chloro-1,1-dimethylethyl) benzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Chloromethyl-2-phenylpropane is a byproduct in the synthesis of Ethophenprox (E936400), a pyrethroid derivative which is used as an insecticide.