1-Brom-5-chlorpentan

1-Bromo-5-chloropentane

HCID 96070CAS 54512-75-3

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Grundinformationen

Standard-SMILES: ClCCCCCBr
InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N
Summenformel: C5H10BrCl
Durchschnittliche Molmasse: 185,49 g/mol
Monoisotopische Masse: 183,9654401

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-5-chloropentane
IUPAC: 1-bromo-5-chloropentane
Lokaler Name: 1-Brom-5-chlorpentan
Englischer Name: 1-Bromo-5-chloropentane
Summenformel: C5H10BrCl
Molmasse: 185.49

Namen und Synonyme

1-Bromo-5-chloropentanePentane, 1-bromo-5-chloro-5-Chloropentyl bromideLZF4NNM2WX5-Bromo-1-chloropentaneEINECS 259-193-7NSC 50474NSC-50474DTXSID3068960PHHNNDKXQVKJEP-UHFFFAOYSA-RefChem:75143DTXCID4041733

Weitere Namen anzeigen

oropentane1-Bromo-5-chL1-Bromo-5-chloropent1-bromo-5-chloro-pentan1-Chloro-5-bromopentane1-Bromo-5-chloropentane1

259-193-7InChI=1/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2PHHNNDKXQVKJEP-UHFFFAOYSA-N54512-75-31-bromo-5-chloro-pentane5-Bromopentyl ChlorideC5H10BrClMFCD00001016

Datenbank-Bezeichner

CAS: 54512-75-3
PubChem CID: 96070
DTXSID: DTXSID3068960
UNII: LZF4NNM2WX
EC Number: 259-193-7
Nikkaji: J29.160I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 4
Schwere Atome: 7
Formalladung: 0
Komplexität: 31,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 210 · 210-212 °C (lit.)
Dichte: 1.408 g/mL · 1.408 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.484(lit.)
Flammpunkt: 203 °F · 203 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: insoluble
BRN: 1732341 · 1732341
InChI: InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N
SMILES: C(Br)CCCCCl
CAS Datenbank: 54512 · 54512-75-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · Pentane, 1-bromo-5-chloro-(54512-75-3)
EPA chemische Informationen: 1 · Pentane, 1-bromo-5-chloro- (54512-75-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Pentane, 1-bromo-5-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 1-bromo-5-chloro- 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: 26-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26528

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)