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HCID 78282Erstellt: 27. Oktober 2026
3,4,5-Trimethoxybenzoylchlorid
SKL1322 · AKOS BBS-00003922 · Troxipide Impurity 2 · Trimethylgalloyl chloride · Tri-O-methylgalloyl chloride · 3,4,5-trimethoxy-benzoylchlorid · 3,4,5-TRIMETHOXYBENZOYL CHLORIDE · Benzoyl chloride, 3,4,5-trimethoxy-
https://huagongshe.com/de/chemical/78282
Identifikatoren & physikalische Daten
| CAS No. | 4521-61-3 |
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| Summenformel | C10H11ClO4 |
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| Durchschnittliche Molmasse | 230,64 g/mol |
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| Monoisotopische Masse | 230,03458651 g/mol |
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| SMILES | COc1cc(C(=O)Cl)cc(OC)c1OC |
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| InChIKey | BUHYMJLFRZAFBF-UHFFFAOYSA-N |
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| PubChem CID | 78282 |
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| EC No. | 224-851-4 |
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| DTXSID | DTXSID2063507 |
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| Lokaler Name | 3,4,5-Trimethoxybenzoylchlorid |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 44,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 207 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Schmelzpunkt | 81-84 °C (lit.) |
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| Siedepunkt | 185 °C/18 mmHg (lit.) |
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| Dichte | 1,214 g/cm3 |
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| Brechungsindex | 1.4571 (estimate) |
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| Flammpunkt | 185°C/18mm |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Toluene |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| BRN | 403117 |
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| InChI | 1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3 |
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| InChIKey | BUHYMJLFRZAFBF-UHFFFAOYSA-N |
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| SMILES | COc1cc(cc(OC)c1OC)C(Cl)=O |
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| LogP (Verteilungskoeffizient) | 2.400 (est) |
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| CAS Datenbank | 4521-61-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,4,5-Trimethoxybenzoyl chloride(4521-61-3) |
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| EPA chemische Informationen | Benzoyl chloride, 3,4,5-trimethoxy- (4521-61-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24801 |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| F | 9-21 |
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| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3261 8/PG 2 |
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| Zollcode | 29189900 |
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| R-Sätze (R) | 14-34-37 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
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| Verpackungsgruppe | II |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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