HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromo-2-methyl-2-pentene
5-BROMO-2-METHYLPENT-2-ENE · NSC 244464 · Homoprenyl bromide · Prenylmethyl bromide · 5-Bromo-2-methyl-2-pentene · 2-Pentene,5-bromo-2-methyl- · 5-bromo-2-methyl-2-pentylene · 5-Bromo-2-methyl-2-pentene 97%
Identifikatoren & physikalische Daten
| CAS No. | 2270-59-9 |
|---|---|
| Summenformel | C6H11Br |
| Durchschnittliche Molmasse | 163,06 g/mol |
| Monoisotopische Masse | 162,00441 g/mol |
| SMILES | CC(C)=CCCBr |
| InChIKey | UNXURIHDFUQNOC-UHFFFAOYSA-N |
| PubChem CID | 137521 |
| EC No. | 627-445-9 |
| DTXSID | DTXSID90177230 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 60 |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -102.35°C (estimate) |
| Siedepunkt | 152-154 °C (lit.) |
| Dichte | 1.217 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.476(lit.) |
| Flammpunkt | 73 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Wichte | 1.217 |
| Löslichkeit | Slightly miscible with water. |
| BRN | 1735749 |
| InChI | InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3 |
| InChIKey | UNXURIHDFUQNOC-UHFFFAOYSA-N |
| SMILES | C/C(/C)=C\CCBr |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (89.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (10.9%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 1-Chloro-2-methyl-1-propene. |
| Hazard Classes and Categories | Flam. Liq. 2 (89.1%)Flam. Liq. 3 (10.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29033990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-methyl-2-pentene acts as a synthetic reagent, which is useful in the formation of sesqueterpenoid. It is also employed in the preparation of geranlol-3-14C. Further, it is used in the preparation of penifulvin A, which is a sesquiterpenoid with a novel dioxa-fenestrane structure.