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4-(Chlormethyl)benzoylchlorid
CMBC · SKL1281 · Butafenacil Impurity 4 · α-Chloro-p-toluoyl chloride · ChloroMethyl)benzoylchlorid · 4-CHLOROMETHYLBENZOYL CHLORIDE · P-CHLOROMETHYLBENZOYL CHLORIDE · (ChloroMethyl) benzoyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 876-08-4 |
|---|---|
| Summenformel | C8H6Cl2O |
| Durchschnittliche Molmasse | 189,04 g/mol |
| Monoisotopische Masse | 187,97957017 g/mol |
| SMILES | O=C(Cl)c1ccc(CCl)cc1 |
| InChIKey | RCOVTJVRTZGSBP-UHFFFAOYSA-N |
| PubChem CID | 70136 |
| EC No. | 212-881-0 |
| DTXSID | DTXSID20236501 |
| Lokaler Name | 4-(Chlormethyl)benzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 30-32 °C(lit.) |
| Siedepunkt | 126-128 °C6 mm Hg(lit.) |
| Dichte | 1.2979 (rough estimate) |
| Brechungsindex | 1.5605 (estimate) |
| Flammpunkt | 199 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Toluene |
| Aggregatzustand | Low Melting Crystalline Mass |
| Farbe | White to light beige |
| InChI | InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2 |
| InChIKey | RCOVTJVRTZGSBP-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC=C(CCl)C=C1 |
| CAS Datenbank | 876-08-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (19.2%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 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: 18-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33414 |
| Hazard Classes and Categories | Met. Corr. 1 (19.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 29163990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45-25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-(Chloromethyl)benzoyl Chloride is used in the synthetic preparation of various compounds and pharmaceuticals. 4-(Chloromethyl)benzoyl Chloride was used in the synthesis of several imidazo[2,1-b]thia zoles.