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2,4,6-Trimethylbenzoylchlorid
MESITOYL CHLORIDE · 2,4,6-Trimethylbenzoyl · Mesitylcarbonylchloride · TMBC · chloride Benzoyl · 4 mino-1-Boc-piperidine · chloride Mesitylcarbonyl · TriMethylbenzoyl chlorid
Identifikatoren & physikalische Daten
| CAS No. | 938-18-1 |
|---|---|
| Summenformel | C10H11ClO |
| Durchschnittliche Molmasse | 182,64 g/mol |
| Monoisotopische Masse | 182,04984265 g/mol |
| SMILES | Cc1cc(C)c(C(=O)Cl)c(C)c1 |
| InChIKey | UKRQMDIFLKHCRO-UHFFFAOYSA-N |
| PubChem CID | 97038 |
| EC No. | 213-339-6 |
| DTXSID | DTXSID20239653 |
| Lokaler Name | 2,4,6-Trimethylbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 143-146 °C (60 mmHg) |
| Dichte | 1.095 g/mL at 25 °C |
| Dampfdruck | 1.52Pa at 25℃ |
| Brechungsindex | 1.528-1.53 |
| Flammpunkt | 143-146°C/60mm |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow |
| Löslichkeit | Reacts slowly with water. |
| BRN | 776108 |
| InChI | InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 |
| InChIKey | UKRQMDIFLKHCRO-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=C(C)C=C(C)C=C1C |
| LogP (Verteilungskoeffizient) | 2.42-3.65 at 25℃ |
| CAS Datenbank | 938-18-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4,6-Trimethylbenzoyl chloride(938-18-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH312 (11.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 178 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5344 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1760 |
| Zollcode | 29163990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 45-36/37/39-26 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
2,4,6-Trimethylbenzoyl chloride is an important organic reagent that can be used for the electrochemical reduction reaction to prepare 2,4,6-trimethylbenzaldehyde and tetramer (i.e. 1,2-bis(2,4,6-trimethylphenyl)ethylene-1,2-diol bis(2,4,6-trimethylbenzoate))[1].
Verwenden
2,4,6-Trimethylbenzoyl chloride is used, in the presence of pyridine, to protect OH groups as mesitoate esters.