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2,4,6-Trimethylbenzylchlorid
MESITYL ALCOHOL · MESITYLMETHANOL · AKOS BBS-00003968 · AZ-CHLOROISODURENE · α2-Chloroisodurene · A-2-CHLOROISODURENE · α-2-Chloroisodurene · RARECHEM AL BD 0049
Identifikatoren & physikalische Daten
| CAS No. | 1585-16-6 |
|---|---|
| Summenformel | C10H13Cl |
| Durchschnittliche Molmasse | 168,66 g/mol |
| Monoisotopische Masse | 168,0705781 g/mol |
| SMILES | Cc1cc(C)c(CCl)c(C)c1 |
| InChIKey | UNRGEIXQCZHICP-UHFFFAOYSA-N |
| PubChem CID | 74108 |
| EC No. | 216-440-3 |
| DTXSID | DTXSID20166435 |
| Lokaler Name | 2,4,6-Trimethylbenzylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 110 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White solidmp = 36-38 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 87-89 °C(lit.) |
| Siedepunkt | 140 °C15 mm Hg(lit.) |
| Dichte | 1.0131 (estimate) |
| Brechungsindex | 1.5162 (estimate) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Fused Solid, Crystals, and/or Chunks |
| Farbe | White |
| BRN | 386678 |
| Stabilität | Air Sensitive, Moisture Sensitive |
| InChI | 1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3 |
| InChIKey | UNRGEIXQCZHICP-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(CCl)c(C)c1 |
| CAS Datenbank | 1585-16-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | DP1402000 |
| R-Sätze (R) | 34-20/21/22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45-23 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4,6-Trimethylbenzyl Chloride (cas# 1585-16-6) is a compound useful in organic synthesis.