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1,4-Dibrombutan
DBB · 1,4-Dibrombutan · 4-DibroMobutane · 1,4-dibromo-butan · 1,4-DIBROMOBUTANE pure · BrCH2CH2CH2CH2Br · 1,4-dibrombutane · 1,4-DIBROMOBUTANE
Identifikatoren & physikalische Daten
| CAS No. | 110-52-1 |
|---|---|
| Summenformel | C4H8Br2 |
| Durchschnittliche Molmasse | 215,91 g/mol |
| Monoisotopische Masse | 213,89927446 g/mol |
| SMILES | BrCCCCBr |
| InChIKey | ULTHEAFYOOPTTB-UHFFFAOYSA-N |
| PubChem CID | 8056 |
| ChEMBL | CHEMBL3185714 |
| EC No. | 203-775-5 |
| DTXSID | DTXSID5044364 |
| Lokaler Name | 1,4-Dibrombutan |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 17,5 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Colorless or pale yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -20 °C (lit.) |
| Siedepunkt | 63-65 °C/6 mmHg (lit.) |
| Dichte | 1.808 g/mL at 25 °C (lit.) |
| Dampfdruck | 1.63 hPa (25 °C) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.35g/limmiscible |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow-brownish |
| BRN | 1071199 |
| Henry-Konstante | 1.7×10-2 mol/(m3Pa) at 25℃, Albanese et al. (1987) |
| Dielektrizitätskonstante | 5.7(20℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | ULTHEAFYOOPTTB-UHFFFAOYSA-N |
| SMILES | BrCCCCBr |
| LogP (Verteilungskoeffizient) | 3.231 at 25℃ |
| CAS Datenbank | 110-52-1(CAS DataBase Reference) |
| NIST chemische Informationen | Butane, 1,4-dibromo-(110-52-1) |
| EPA chemische Informationen | Butane, 1,4-dibromo- (110-52-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (76.8%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Butane, 1,4-dibromo-Status: Active Update: 27-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/198841,4-Dibromobutane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 300 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 2-Bromobutane and 1-Bromobutane. |
| Hazard Classes and Categories | Acute Tox. 3 (76.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29033036 |
| RTECS-Nr. | EJ7565000 |
| R-Sätze (R) | 25-37/38-41-36/37/38 |
| Gefahrensymbole | T,Xi,C |
| Sicherheitshinweise (S) | 26-39-45-37/39 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,4-Dibromobutane is used as an intermediate involved in the synthesis of active pharmaceutical ingredient and other organic compounds. It is also used in the investigation of metabolism of two halopropanes such as 1,3-dichloropropane and 2,2-dichloropropane. Further, it acts as a reagent to prepare diazadioxa oxovanadium(IV) macrocyclic complexes.