HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-(tert-Butyl)-α-chlortoluol
1-(TERT-BUTYL)-4-(CHLOROMETHYL)BENZENE · AKOS BBS-00003972 · Butenafine Impurity 2 · P-T-BUTYLBENZYL CHLORIDE · 4-t-Butylbenzyl chloride · tert-Butyl Benzyl Chloride · 4-TERT-BUTYLBENZYL CHLORIDE · P-TERT-BUTYLBENZYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 19692-45-6 |
|---|---|
| Summenformel | C11H15Cl |
| Durchschnittliche Molmasse | 182,69 g/mol |
| Monoisotopische Masse | 182,08622816 g/mol |
| SMILES | CC(C)(C)c1ccc(CCl)cc1 |
| InChIKey | WAXIFMGAKWIFDQ-UHFFFAOYSA-N |
| PubChem CID | 88198 |
| EC No. | 243-228-8 |
| DTXSID | DTXSID7066516 |
| Lokaler Name | p-(tert-Butyl)-α-chlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | -18 °C |
| Siedepunkt | 101-105 °C7 mm Hg(lit.) |
| Dichte | 0.945 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | 202 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 0.945 |
| Löslichkeit | Slightly soluble in water. |
| BRN | 471673 |
| InChI | 1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | WAXIFMGAKWIFDQ-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(CCl)cc1 |
| CAS Datenbank | 19692-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-(19692-45-6) |
| EPA chemische Informationen | p-tert-Butylbenzyl chloride (19692-45-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)- |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-tert-Butylbenzyl chloride has been used to control molecular weight and prevent microgel formation during polymerization reaction.