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3-Brompropionylchlorid
3-broMopropanoyl chloride · 3-BromopropionyL · 3-Bromopropionyl chl · 3-bromo-propanoylchlorid · b-Bromopropanoyl chloride · B-BROMOPROPIONYL CHLORIDE · 3-BROMOPROPIONYL CHLORIDE · 3-BromopropionylChloride>Propanoyl chloride, 3-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 15486-96-1 |
|---|---|
| Summenformel | C3H4BrClO |
| Durchschnittliche Molmasse | 171,42 g/mol |
| Monoisotopische Masse | 169,91340453 g/mol |
| SMILES | O=C(Cl)CCBr |
| InChIKey | IHBVNSPHKMCPST-UHFFFAOYSA-N |
| PubChem CID | 84944 |
| EC No. | 239-515-2 |
| DTXSID | DTXSID3065900 |
| Lokaler Name | 3-Brompropionylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 54,8 |
| Siedepunkt | 55-57 °C/17 mmHg (lit.) |
| Dichte | 1.701 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.49(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Löslichkeit | REACTS |
| InChI | InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2 |
| InChIKey | IHBVNSPHKMCPST-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)CCBr |
| CAS Datenbank | 15486-96-1(CAS DataBase Reference) |
| EPA chemische Informationen | Propanoyl chloride, 3-bromo- (15486-96-1) |
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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45-25 |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Bromopropionyl chloride was used in the preparation of 1-chloro-4-bromo-2-butanone.