1-Brompentan
1-Bromopentane
Grundinformationen
- CAS
110-53-2- Standard-SMILES
CCCCCBr- InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N- Summenformel
- C5H11Br
- Durchschnittliche Molmasse
- 151,04 g/mol
- Monoisotopische Masse
- 150,00441
Überblick
1-bromopentane has been reported in Fucus vesiculosus with data available.
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromopentane
- IUPAC
- 1-bromopentane
- Lokaler Name
- 1-Brompentan
- Englischer Name
- 1-Bromopentane
- Summenformel
- C5H11Br
- Molmasse
- 151.04
Namen und Synonyme
1-BROMOPENTANE110-53-2n-Amyl bromidePentyl bromideAmyl bromiden-Pentyl bromide1-Pentyl bromidePentane, 1-bromo-DTXSID3049203Z2S4R599P0NSC-78951-BPT CPD
Weitere Namen anzeigen
n-C5H11Br1-bromo-pentan1-Brompentan1-BrompentaneN myl bromide1-Pentylbromid
DTXCID8028474RefChem:75177203-776-0BromopentanePentane, bromo-1-Bromo-pentane29756-38-51-bromo pentane
Datenbank-Bezeichner
- CAS
110-53-2- PubChem CID
- 8057
- DTXSID
DTXSID3049203- ChEMBL
CHEMBL155850- UNII
- Z2S4R599P0
- EC Number
- 203-776-0
- Nikkaji
- J1.976C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 19,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
LogP3.32
Vapor Pressure12.6 [mmHg]
Physical DescriptionLiquid; [Merck Index] Clear, light yellow liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 95 °C · −95 °C(lit.)
- Siedepunkt
- 130 °C · 130 °C(lit.)
- Dichte
- 1.218 g/mL · 1.218 g/mL at 25 °C(lit.)
- Dampfdichte
- 1 · >1 (vs air)
- Brechungsindex
- 20 · n20/D 1.444(lit.)
- Flammpunkt
- 88 °F · 88 °F
- storage temp.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Pentane, 1-bromo-
REACH registered substance: 1-bromopentane (EC: 203-776-0)
1-Bromopentane: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Hazards SummaryCauses 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
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Data
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPentane, 1-bromo-: ACTIVE
Anwendungen
Verwenden1-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.
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