1-Brompentan

1-Bromopentane

HCID 8057CAS 110-53-2
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Grundinformationen

Standard-SMILES
CCCCCBr
InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N
Summenformel
C5H11Br
Durchschnittliche Molmasse
151,04 g/mol
Monoisotopische Masse
150,00441245

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-7895DTXCID8028474
Weitere Namen anzeigen
n-C5H11Br1-bromo-pentan1-Brompentan1-BrompentaneN myl bromide1-Pentylbromid
RefChem:751771-BPT CPD203-776-0Bromopentane1-Bromo-pentanePentane, bromo-29756-38-51-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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 4 Einträge

Chemical: Pentane, 1-bromo-

Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10195

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 · 2 Einträge

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 47,600 mg/m3/2hr

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29033036
RTECS-Nr.
RZ9770000
risk_code
10-36/37/38-51/53-22

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentane, 1-bromo-: ACTIVE
Anwendungen · 1 Eintrag

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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