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Veratroylchlorid
VERATROYL CHLORIDE · SKL1304 · BUTTPARK 94\04-06 · Etopride Impurity 6 · Itopride Impurity 11 · 3,4-Dimethoxybenzoyl chloride · 1-(4-methoxyphenyl)-2-propanol · 3,4-DimethoxybenzoylChloride>Benzoyl chloride, 3,4-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 3535-37-3 |
|---|---|
| Summenformel | C9H9ClO3 |
| Durchschnittliche Molmasse | 200,62 g/mol |
| Monoisotopische Masse | 200,02402183 g/mol |
| SMILES | COc1ccc(C(=O)Cl)cc1OC |
| InChIKey | VIOBGCWEHLRBEP-UHFFFAOYSA-N |
| PubChem CID | 77070 |
| EC No. | 222-568-0 |
| DTXSID | DTXSID30188840 |
| Lokaler Name | Veratroylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 184 |
| Schmelzpunkt | 70-73 °C (lit.) |
| Siedepunkt | 95-98°C 1mm |
| Dichte | 1.2799 (rough estimate) |
| Brechungsindex | 1.5230 (estimate) |
| Flammpunkt | 95-98°C/1mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Toluene |
| Aggregatzustand | Crystals, Flakes or Chunks |
| Farbe | Off-white to gray |
| BRN | 783596 |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3 |
| InChIKey | VIOBGCWEHLRBEP-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC=C(OC)C(OC)=C1 |
| CAS Datenbank | 3535-37-3(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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29222990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,4-Dimethoxybenzoyl Chloride is a benzoyl chloride derivative used in the preparation of a variety of biologically active compounds such as bronchodilators