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Benzol-1,3,5-tricarbonyltrichlorid
TRIMESOYL CHLORIDE · 1,3,5-BENZENETRICARBONYL TRICHLORIDE · 1,3,5-BENZENETRICARBONYL CHLORIDE · benzene-1,3,5-tricarbonyl trichloride · Trimesoyl trichloride · TRIMESIC ACID TRICHLORIDE · 1,3,5-triMesoyl chloride · 1,3,5-BenzenetricarbonyL
Identifikatoren & physikalische Daten
| CAS No. | 4422-95-1 |
|---|---|
| Summenformel | C9H3Cl3O3 |
| Durchschnittliche Molmasse | 265,5 g/mol |
| Monoisotopische Masse | 263,914777 g/mol |
| SMILES | O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1 |
| InChIKey | UWCPYKQBIPYOLX-UHFFFAOYSA-N |
| PubChem CID | 78138 |
| ChEMBL | CHEMBL3182363 |
| EC No. | 224-594-8 |
| DTXSID | DTXSID7044429 |
| Lokaler Name | Benzol-1,3,5-tricarbonyltrichlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 243 |
| SpringerMaterials Properties | Angular frequency |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Liquid |
| Schmelzpunkt | 32-38 °C (lit.) |
| Siedepunkt | 180 °C/16 mmHg (lit.) |
| Dichte | 1.487 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5945-1.5965 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | decomposes |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| BRN | 2940936 |
| InChI | 1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H |
| InChIKey | UWCPYKQBIPYOLX-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1cc(cc(c1)C(Cl)=O)C(Cl)=O |
| CAS Datenbank | 4422-95-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3,5-Benzenetricarbonyl trichloride(4422-95-1) |
| EPA chemische Informationen | 1,3,5-Benzenetricarbonyl trichloride (4422-95-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (56.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,3,5-Benzenetricarbonyl trichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Benzenetricarbonyl trichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34247 |
| Hazard Classes and Categories | Met. Corr. 1 (56.4%) |
| F | 10-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29173980 |
| R-Sätze (R) | 14-22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Specialty organic.