HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brombenzoylchlorid
SKL749 · 3-BromobenzoyL · 3-Bromobenzoyl chlor · 3-bromo-benzoylchlorid · 3-BROMOBENZOYL CHLORIDE · M-BROMOBENZOYL CHLORIDE · Between broMine chloride · 3-BromobenzoylChloride>Benzoyl chloride, m-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 1711-09-7 |
|---|---|
| Summenformel | C7H4BrClO |
| Durchschnittliche Molmasse | 219,46 g/mol |
| Monoisotopische Masse | 217,91340453 g/mol |
| SMILES | O=C(Cl)c1cccc(Br)c1 |
| InChIKey | PBOOZQFGWNZNQE-UHFFFAOYSA-N |
| PubChem CID | 74377 |
| EC No. | 216-978-9 |
| DTXSID | DTXSID0061907 |
| Lokaler Name | 3-Brombenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 139.5-141.3 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2)) |
| Siedepunkt | 74-75 °C/0.5 mmHg (lit.) |
| Dichte | 1.662 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.595(lit.) |
| Flammpunkt | 225°F |
| Lagerbedingungen | RT, stored under nitrogen |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.662 |
| BRN | 1635505 |
| InChI | 1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H |
| InChIKey | PBOOZQFGWNZNQE-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1cccc(Br)c1 |
| CAS Datenbank | 1711-09-7(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Bromobenzoyl chloride(1711-09-7) |
| EPA chemische Informationen | Benzoyl chloride, 3-bromo- (1711-09-7) |
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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 3-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 3265 8/PG 2 |
| Zollcode | 29163990 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Bromobenzoyl chloride was used in the synthesis of 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole and (4-benzhydryl-1,4-diazepan-1-yl)(3-bromophenyl)methanone.