HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombenzoylchlorid
P-BROMOBENZOYL CHLORIDE · 4-Bromobenzoic acid chloride · 4-BromobenzoyL · AKOS BBS-00003926 · Of broMine chloride · 4-Bromobenzoyl chlor · 4-Brorobenzoylchloride · 4-bromo-benzoylchlorid
Identifikatoren & physikalische Daten
| CAS No. | 586-75-4 |
|---|---|
| Summenformel | C7H4BrClO |
| Durchschnittliche Molmasse | 219,46 g/mol |
| Monoisotopische Masse | 217,91340453 g/mol |
| SMILES | O=C(Cl)c1ccc(Br)cc1 |
| InChIKey | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| PubChem CID | 68515 |
| EC No. | 209-580-1 |
| DTXSID | DTXSID2060412 |
| Lokaler Name | 4-Brombenzoylchlorid |
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 | 10 |
| Formalladung | 0 |
| Komplexität | 130 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 36-39 °C(lit.) |
| Siedepunkt | 246 °C |
| Dichte | 1.6111 (rough estimate) |
| Brechungsindex | 1.5963 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly)Soluble in methanol. Reacts with water forming Hcl. |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to light brown |
| BRN | 636641 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
| InChIKey | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(Br)cc1 |
| CAS Datenbank | 586-75-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 4-bromo-(586-75-4) |
| EPA chemische Informationen | Benzoyl chloride, 4-bromo- (586-75-4) |
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 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoyl chloride, 4-bromo-4-Bromobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Bromobenzoyl chloride is used in the synthesis of HIV-1 protease inhibitors. It is also used in the synthesis of oxazoles, cyclohexanone derivatives as analgesic and antimicrobial agents.