2-Chloroctan

2-Chlorooctane

HCID 12347

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Grundinformationen

CAS: 628-61-5
Standard-SMILES: CCCCCCC(C)Cl
InChIKey: HKDCIIMOALDWHF-UHFFFAOYSA-N
Summenformel: C8H17Cl
Durchschnittliche Molmasse: 148,67 g/mol
Monoisotopische Masse: 148,10187822

Namen und Bezeichner

Bevorzugter Name: 2-Chlorooctane
IUPAC: 2-chlorooctane
Lokaler Name: 2-Chloroctan
Englischer Name: 2-Chlorooctane
Summenformel: C8H17Cl
Molmasse: 148.67

Namen und Synonyme

2-CHLOROOCTANEOctane, 2-chloro-2-Octyl chloride1-Methylheptyl chlorideUNII-0H8W4Y2ETW0H8W4Y2ETWNSC 5407NSC-5407EINECS 211-046-8DTXSID708707322Octyl chlorideOctane, 2chloro

Weitere Namen anzeigen

2-chloro-octan2-octylchlorideoctane,2-chloro-SEC-OCTYL CHLORIDE2-Chlorooctane,99%,pract.

1Methylheptyl chlorideRefChem:86517(+-)-2-CHLOROOCTANEDTXCID80818428211-046-8HKDCIIMOALDWHF-UHFFFAOYSA-N628-61-52-chloro-octane

Datenbank-Bezeichner

CAS: 628-61-5
PubChem CID: 12347
DTXSID: DTXSID70870732
UNII: 0H8W4Y2ETW
EC Number: 211-046-8
Nikkaji: J96.521I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 52,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Vapor Pressure1.37 [mmHg]

Physical Description · 2 Einträge

Liquid

Liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -41.9 °C · -41.9°C (estimate)
Siedepunkt: 171.9 °C · 171.9°C
Dichte: 0.8658 · 0.8658
Brechungsindex: 1.4273 · 1.4273
Henry's Law Constant: 2.7 · 2.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
EPA chemische Informationen: 2 · Octane, 2-chloro- (628-61-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

Octane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 2-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)

Hazards SummaryA skin and eye irritant; May cause CNS depression; [Acros Organics MSDS] See 1-Chlorooctane. See 1-Chloropentane.

Hazard Classes and CategoriesSkin Sens. 1 (100%)