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1-Brom-2-methylpropan
ISOBUTYL BROMIDE · bromoisobutane · i-Butyl bromide · iso-C4H9Br · Isobutylbromid · 1-Bromoisobutane · 1-Bromo-iso-butame · Isobutylbromide,97%
Identifikatoren & physikalische Daten
| CAS No. | 78-77-3 |
|---|---|
| Summenformel | C4H9Br |
| Durchschnittliche Molmasse | 137,02 g/mol |
| Monoisotopische Masse | 135,98876239 g/mol |
| SMILES | CC(C)CBr |
| InChIKey | HLVFKOKELQSXIQ-UHFFFAOYSA-N |
| PubChem CID | 6555 |
| ChEMBL | CHEMBL346532 |
| EC No. | 201-141-2 |
| DTXSID | DTXSID1052539 |
| Lokaler Name | 1-Brom-2-methylpropan |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 17,6 |
| Stoffklassen | Flammable agents - 3rd degree |
| Solvents | Solvents -> Brominated Solvents |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.53 |
| Dampfdruck | 72.0 [mmHg]41 hPa (20 °C) |
| Physical Description | Colorless liquid[Merck Index] Light yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -119 °C |
| Siedepunkt | 90-92 °C(lit.) |
| Dichte | 1.26 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.435(lit.) |
| Flammpunkt | 65 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.51g/l slightly soluble0.51 g/L (18 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Merck | 14,5135 |
| BRN | 1730915 |
| Henry-Konstante | 4.2×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975) |
| Dielektrizitätskonstante | 4.0(-7℃) |
| Stabilität | Volatile |
| InChI | 1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | HLVFKOKELQSXIQ-UHFFFAOYSA-N |
| SMILES | CC(C)CBr |
| CAS Datenbank | 78-77-3(CAS DataBase Reference) |
| NIST chemische Informationen | Propane, 1-bromo-2-methyl-(78-77-3) |
| EPA chemische Informationen | Propane, 1-bromo-2-methyl- (78-77-3) |
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 99 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Propane, 1-bromo-2-methyl-Status: Active Update: 01-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/107371-Bromo-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquids - Category 2Flammable agents - 3rd degree |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (mouse) = 50,500 mg/m3 |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2342 (BROMOMETHYLPROPANES) |
| Zollcode | 29033036 |
| RTECS-Nr. | TX4140000 |
| R-Sätze (R) |
Anwendungen & Verwendung
Verwenden
1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.