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2-Chlorbenzoylchlorid
O-CHLOROBENZOYL CHLORIDE · OCOC · o-ChL · SKL750 · orobenzoyL · o-Chlorobenzoylchlor · chlorobenzoylchloride · o-Chlorbenzoylchlorid
Identifikatoren & physikalische Daten
| CAS No. | 1321-03-5 |
|---|---|
| Summenformel | C7H4Cl2O |
| Durchschnittliche Molmasse | 175,01 g/mol |
| Monoisotopische Masse | 173,96392011 g/mol |
| SMILES | O=C(Cl)c1ccccc1Cl |
| InChIKey | ONIKNECPXCLUHT-UHFFFAOYSA-N |
| PubChem CID | 69110 |
| ChEBI | CHEBI:60719 |
| EC No. | 210-194-0 |
| DTXSID | DTXSID9060572 |
| Lokaler Name | 2-Chlorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid with an acrid odor[Alfa Aesar MSDS] |
| Schmelzpunkt | -4--3 °C (lit.) |
| Siedepunkt | 238 °C (lit.) |
| Dichte | 1.382 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.1 hPa (20 °C) |
| Brechungsindex | n20/D 1.572(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to very slightly yellow |
| Explosionsgrenze | 1.5-9.4%(V) |
| Löslichkeit | Soluble in acetone, ether, and alcohol. Solubility in water it decomposes. |
| BRN | 386435 |
| InChI | 1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H |
| InChIKey | ONIKNECPXCLUHT-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccccc1Cl |
| CAS Datenbank | 609-65-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 2-chloro-(609-65-4) |
| EPA chemische Informationen | Benzoyl chloride, 2-chloro- (609-65-4) |
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 52 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoyl chloride, 2-chloro-Status: Active Update: 28-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/239482-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Reacts violently with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 orally in Rabbit: 3250 mg/kg |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 600 °C |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzoyl chloride, is used in organic synthesis. It is used as a pharmaceutical intermediate for eg as an intermediate of clotrimazolc, preparation of p-chlorobenzoic acid and production of trichloro-acaricide.