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1-Brom-4-methylpentan
NSC 159166 · Br(CH2)3CH(CH3)2 · Bromomethylpentane · 1-Bromo-4-methylpent · 1-brom-4-methylpentan · 4-METHYLPENTYL BROMIDE · 1-bromo-5-methylpentane · Isopentylmethyl bromide
Identifikatoren & physikalische Daten
| CAS No. | 626-88-0 |
|---|---|
| Summenformel | C6H13Br |
| Durchschnittliche Molmasse | 165,07 g/mol |
| Monoisotopische Masse | 164,02006252 g/mol |
| SMILES | CC(C)CCCBr |
| InChIKey | XZKFBZOAIGFZSU-UHFFFAOYSA-N |
| PubChem CID | 69385 |
| EC No. | 210-968-8 |
| DTXSID | DTXSID8060826 |
| Lokaler Name | 1-Brom-4-methylpentan |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 33,2 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -44.22°C (estimate) |
| Siedepunkt | 146 °C (lit.) |
| Dichte | 1.134 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.446(lit.) |
| Flammpunkt | 112 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| InChI | 1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3 |
| InChIKey | XZKFBZOAIGFZSU-UHFFFAOYSA-N |
| SMILES | CC(C)CCCBr |
| CAS Datenbank | 626-88-0(CAS DataBase Reference) |
| NIST chemische Informationen | Pentane, 1-bromo-4-methyl-(626-88-0) |
| EPA chemische Informationen | Pentane, 1-bromo-4-methyl- (626-88-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2903.39.1550 |
| R-Sätze (R) | 10-51/53-36-22 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 16-36-61-26 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-4-methylpentane is an alkylating agent. It can be used in organic synthesis diethyl 2-(4′-methylpentyl)malonate; 1,3-bis(4-(isopentyloxy)phenyl)urea, 1,3-bis(4-(isopentyloxy)phenyl)thiourea.