HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-2-methyl-1-propene
1-Bromo-2-methylprop-1-ene · 1-BROMO-2-METHYL-1-PROPENE · 2-methyl-1-propenylbromide · Isocrtyl bromide · 1-Bromoisobutene · 1-Bromo-2-methyL · ISOCROTYL BROMIDE · (Z)-1-Bromo-2-butene
Identifikatoren & physikalische Daten
| CAS No. | 3017-69-4 |
|---|---|
| Summenformel | C4H7Br |
| Durchschnittliche Molmasse | 135 g/mol |
| Monoisotopische Masse | 133,97311232 g/mol |
| SMILES | CC(C)=CBr |
| InChIKey | DEFNUDNHTUZJAL-UHFFFAOYSA-N |
| PubChem CID | 98560 |
| ChEMBL | CHEMBL157418 |
| EC No. | 629-499-9 |
| DTXSID | DTXSID40184252 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 41,6 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -115.07°C (estimate) |
| Siedepunkt | 92 °C (lit.) |
| Dichte | 1.318 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | 46 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| BRN | 1733844 |
| InChI | InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3 |
| InChIKey | DEFNUDNHTUZJAL-UHFFFAOYSA-N |
| SMILES | C(/Br)=C(\C)/C |
| CAS Datenbank | 3017-69-4 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-33 |
| Gefahrenklasse | 3.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-2-methyl-1-propene has been used in:preparation of esters of 2,4-dienoic acids via palladium catalyzed reaction with methyl acrylate in the presence of triethylaminetotal synthesis of ocular age pigment, A2-Esynthesis of 3-nor-geraniol [2H2]