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1-Brompentan
PENTYL BROMIDE · N-AMYL BROMIDE · 1-Pentyl bromide · n-C5H11Br · AMYL BROMIDE · 1-bromo-pentan · 1-Brompentan · 1-Brompentane
Identifikatoren & physikalische Daten
| CAS No. | 110-53-2 |
|---|---|
| Summenformel | C5H11Br |
| Durchschnittliche Molmasse | 151,04 g/mol |
| Monoisotopische Masse | 150,00441245 g/mol |
| SMILES | CCCCCBr |
| InChIKey | YZWKKMVJZFACSU-UHFFFAOYSA-N |
| PubChem CID | 8057 |
| ChEMBL | CHEMBL155850 |
| EC No. | 203-776-0 |
| DTXSID | DTXSID3049203 |
| Lokaler Name | 1-Brompentan |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 19,9 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.32 |
| Dampfdruck | 12.6 [mmHg] |
| Physical Description | Liquid[Merck Index] Clear, light yellow liquid[Aldrich MSDS] |
| Schmelzpunkt | −95 °C(lit.) |
| Siedepunkt | 130 °C(lit.) |
| Dichte | 1.218 g/mL at 25 °C(lit.) |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.444(lit.) |
| Flammpunkt | 88 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | H2O: insolublepractically insoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Merck | 14,602 |
| BRN | 1730981 |
| Henry-Konstante | 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielektrizitätskonstante | 6.3(10℃) |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3 |
| InChIKey | YZWKKMVJZFACSU-UHFFFAOYSA-N |
| SMILES | CCCCCBr |
| CAS Datenbank | 110-53-2(CAS DataBase Reference) |
| NIST chemische Informationen | Pentane, 1-bromo-(110-53-2) |
| EPA chemische Informationen | Pentane, 1-bromo- (110-53-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pentane, 1-bromo-Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/101951-Bromopentane: 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 | Causes other liver changes and effects on transaminases in oral toxic-dose studies of mice[RTECS] A skin, respiratory tract, and strong eye irritant[Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 47,600 mg/m3/2hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29033036 |
| RTECS-Nr. | RZ9770000 |
| R-Sätze (R) | 10-36/37/38-51/53-22 |
| Toxizität | LD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76 |
| Gefahrensymbole | Xi,F,N,Xn |
| hazard_note | Irritant/Flammable |
| Sicherheitshinweise (S) | 26-36-61-37/39-29-16 |
| Gefahrenklasse | 3Aquatic Chronic 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.