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1-Bromodecane
DECYL BROMIDE · N-DECYL BROMIDE · 1-Bromdecan · BROMO DECANE · 1-BROMODECANE · I–Bromodecane · 1-bromo-decan · 1-Decylbromid
Identifikatoren & physikalische Daten
| CAS No. | 112-29-8 |
|---|---|
| Summenformel | C10H21Br |
| Durchschnittliche Molmasse | 221,18 g/mol |
| Monoisotopische Masse | 220,08266277 g/mol |
| SMILES | CCCCCCCCCCBr |
| InChIKey | MYMSJFSOOQERIO-UHFFFAOYSA-N |
| PubChem CID | 8173 |
| ChEMBL | CHEMBL3559832 |
| EC No. | 203-955-3 |
| DTXSID | DTXSID9051581 |
Chemische & physikalische Eigenschaften
| XLogP | 6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 61,9 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 6.0 |
| Dichte | 1.0702 @ 20°C1.066 g/mL at 25 °C(lit.) |
| Siedepunkt | 240.6 °C @760 [mm Hg]238 °C(lit.) |
| Schmelzpunkt | -29.2 °C-29.6 °C |
| Dampfdruck | 0.04 [mmHg] |
| Physical Description | LiquidClear, light yellow liquid[Aldrich MSDS] |
| Brechungsindex | n20/D 1.456(lit.) |
| Flammpunkt | 202 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly)SLIGHTLY SOLUBLE |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1735227 |
| Henry-Konstante | 1.7×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Dielektrizitätskonstante | 4.4(24℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 |
| InChIKey | MYMSJFSOOQERIO-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCBr |
| CAS Datenbank | 112-29-8(CAS DataBase Reference) |
| NIST chemische Informationen | Decane, 1-bromo-(112-29-8) |
| EPA chemische Informationen | Decane, 1-bromo- (112-29-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Decane, 1-bromo-Decane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decane, 1-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5308Decane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane. |
| Hazard Classes and Categories | Skin Irrit. 2 (15.1%) |
| Protective Action Criteria (PAC) | 13 [mg/m3]150 [mg/m3]880 [mg/m3] |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (mouse) = 4,200 mg/m3/2hr |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29033036 |
| RTECS-Nr. | HD6850000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Bromodecane is used to produce decanal. It is also used in organic synthesis.