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2,4-Dichlorbenzoylchlorid
2,4-Dichlorobenzoyl · DCOC · 2,4-DCOC · BUTTPARK 45\07-36 · 2,4-Dichlorbenzoylchlorid · DICHLOROBENZOYLCHLORIDE-2,4 · 2,4-dichloro-benzoylchlorid · 2,4-Dichlorobenzoyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 89-75-8 |
|---|---|
| Summenformel | C7H3Cl3O |
| Durchschnittliche Molmasse | 209,5 g/mol |
| Monoisotopische Masse | 207,92494776 g/mol |
| SMILES | O=C(Cl)c1ccc(Cl)cc1Cl |
| InChIKey | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| PubChem CID | 66645 |
| ChEMBL | CHEMBL3561077 |
| EC No. | 201-936-4 |
| DTXSID | DTXSID2052603 |
| Lokaler Name | 2,4-Dichlorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Colorless solid or liquidmp = 21 deg C[Acros Organics MSDS] |
| Schmelzpunkt | 16-18 °C (lit.) |
| Siedepunkt | 150 °C/34 mmHg (lit.) |
| Dichte | 1.494 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.1 mm Hg ( 32 °C) |
| Brechungsindex | n20/D 1.592(lit.) |
| Flammpunkt | 280 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Benzene,Ether,TolueneReacts with water. Soluble in toluene. |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear colorless to slightly colored |
| BRN | 608234 |
| InChI | 1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H |
| InChIKey | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(Cl)cc1Cl |
| LogP (Verteilungskoeffizient) | 2.82 at 25℃ |
| CAS Datenbank | 89-75-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 2,4-dichloro-(89-75-8) |
| EPA chemische Informationen | Benzoyl chloride, 2,4-dichloro- (89-75-8) |
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 87 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoyl chloride, 2,4-dichloro-Status: Active Update: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/59262,4-Dichlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Hydrolyzed by water or moisture producing gaseous and aqueous hydrogen chlorideCauses burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Acros Organics MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| RTECS-Nr. | DM6636766 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.