HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brombutanon
1-Brombutanon-(2) · tl819 · TL 819 · 1-bromobutanone · 1-bromo-2-butanon · 1-BROMO-2-BUTANONE · 2-Oxobutyl bromide · 1-bromo-butan-2-one
Identifikatoren & physikalische Daten
| CAS No. | 816-40-0 |
|---|---|
| Summenformel | C4H7BrO |
| Durchschnittliche Molmasse | 151 g/mol |
| Monoisotopische Masse | 149,96802694 g/mol |
| SMILES | CCC(=O)CBr |
| InChIKey | CCXQVBSQUQCEEO-UHFFFAOYSA-N |
| PubChem CID | 13156 |
| EC No. | 212-431-3 |
| DTXSID | DTXSID00231216 |
| Lokaler Name | 1-Brombutanon |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 51,5 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | 1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion. |
| Siedepunkt | 105 °C150 mm Hg(lit.) |
| Dichte | 1.479 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.465(lit.) |
| Flammpunkt | 155 °F |
| Lagerbedingungen | Keep Cold |
| Aggregatzustand | Liquid |
| Wichte | 1.479 |
| Farbe | Colorless to light yellow |
| BRN | 741894 |
| InChI | InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3 |
| InChIKey | CCXQVBSQUQCEEO-UHFFFAOYSA-N |
| SMILES | C(Br)C(=O)CC |
| CAS Datenbank | 816-40-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Reaktive Gruppe | Halogenated Organic Compounds |
| Reactivity Profile | Some of these materials may burn, but none ignite readily. Containers may explode when heated. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (91.3%) |
| Brandbekämpfung | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Erste Hilfe | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 159 [Substances (Irritating)]: |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1693 |
Anwendungen & Verwendung
Verwenden
1-Bromo-2-butanone (bromomethyl ethyl ketone) was used as a potential regulatory site-directed reagent for the residue C221 on pyruvate decarboxylase. It was also used as a reagent for aromatic bromination with sodium hydride in DMSO and in a microwave-assisted preparation of fused heterocycles.