3-Brompentan

3-Bromopentane

HCID 15738CAS 1809-10-5

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Grundinformationen

Standard-SMILES: CCC(Br)CC
InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N
Summenformel: C5H11Br
Durchschnittliche Molmasse: 151,04 g/mol
Monoisotopische Masse: 150,00441245

Namen und Bezeichner

Bevorzugter Name: 3-Bromopentane
IUPAC: 3-bromopentane
Lokaler Name: 3-Brompentan
Englischer Name: 3-Bromopentane
Summenformel: C5H11Br
Molmasse: 151.04

Namen und Synonyme

3-BROMOPENTANEPentane, 3-bromo-3-Pentyl bromideEINECS 217-314-0DTXSID2061987RefChem:93252DTXCID0035740217-314-0InChI=1/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2HVTOQFOCYBTVOJZ-UHFFFAOYSA-N1809-10-5MFCD00000158

Weitere Namen anzeigen

DK612DKSI1683-broMideDKFELEX01523-Pentylbromid3-bromo-pentanpentane,3-bromo-3-Bromopentane,97%

3-bromo-pentane3-Pentyl Bromide;3-pentylbromide3-Bromopentane, 95%SCHEMBL82623SCHEMBL82624SCHEMBL1417603SCHEMBL7863991

Datenbank-Bezeichner

CAS: 1809-10-5
PubChem CID: 15738
DTXSID: DTXSID2061987
EC Number: 217-314-0
Nikkaji: J97.466H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 23,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -126.2 °C · -126.2°C
Siedepunkt: 118 · 118-119 °C (lit.)
Dichte: 1.216 g/mL · 1.216 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.445(lit.)
Flammpunkt: 65 °F · 65 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Miscible with ethanol, ether, benzene and chloroform.
Aggregatzustand: Liquid
Farbe: Clear pale yellow
BRN: 1730967 · 1730967
Dielectric constant: 8.37 · 8.3699999999999992
InChI: InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N
SMILES: CCC(Br)CC
CAS Datenbank: 1809 · 1809-10-5(CAS DataBase Reference)
EPA chemische Informationen: 3 · Pentane, 3-bromo- (1809-10-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29033990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentane, 3-bromo-: ACTIVE

Anwendungen

Verwenden3-Bromopentane is a glass forming liquid used in the preparation of 2-(1-ethyl-propoxy)-isoindole-1,3-dione. Further, it is employed in organic synthesis.

Darstellung · 1 Eintrag

synthetischeIsomerically pure 3-bromopentane could be prepared from tri-1-ethylpropyl phosphite and hydrogen bromide and solvolysed in 60% aqueous ethanol. The detection of about 1% rearrangement products in both acid and weakly alkaline conditions supports the view that carbonium ion intermediates are formed in the reaction of at least a proportion of the molecules[1].