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1-Brom-2,2-dimethylpropan
NEOPENTYL BROMIDE · 1-bromo-2,2-dimethyl-propan · (CH3)3CCH2Br · cas no 630-17-1 · 1-Bromo-2,2-dimethyL · Neopentylbromide,98% · Neo-pentyl Bromide 97% · 1-BROMO-2,2-DIMETHYLPR
Identifikatoren & physikalische Daten
| CAS No. | 630-17-1 |
|---|---|
| Summenformel | C5H11Br |
| Durchschnittliche Molmasse | 151,04 g/mol |
| Monoisotopische Masse | 150,00441245 g/mol |
| SMILES | CC(C)(C)CBr |
| InChIKey | CQWYAXCOVZKLHY-UHFFFAOYSA-N |
| PubChem CID | 12415 |
| EC No. | 211-132-5 |
| DTXSID | DTXSID2060886 |
| Lokaler Name | 1-Brom-2,2-dimethylpropan |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 33,7 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -105.4°C (estimate) |
| Siedepunkt | 105-106 °C/767 mmHg (lit.) |
| Dichte | 1.199 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.436(lit.) |
| Flammpunkt | 44 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Löslichkeit | Soluble in ethanol, ether, aetone and benzene. Insoluble in water. |
| BRN | 1730989 |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3 |
| InChIKey | CQWYAXCOVZKLHY-UHFFFAOYSA-N |
| SMILES | C(Br)C(C)(C)C |
| CAS Datenbank | 630-17-1(CAS DataBase Reference) |
| EPA chemische Informationen | Propane, 1-bromo-2,2-dimethyl- (630-17-1) |
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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See 2-Bromopentane. See 1,3-Dibromo-2,2-dimethylpropane. See 1-Chloro-2,2-dimethylpropane. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29033919 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Neopentyl bromide is used in synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It can be used in agrochemical, pharmaceutical and dyestuff field .