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Molecule record

1,2-dichlorooctane

C8H16Cl2

183.12 g/mol

Loading structure

Molecular properties

Formula
C8H16Cl2
Molar mass
183.12 g·mol−1
Exact mass
182.0629 Da
0
PubChem CID
168010

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 21948-46-9
  • 72778-28-0
  • AKOS006272337
  • DTXSID101016859
  • InChI=1/C8H16Cl2/c1-2-3-4-5-6-8(10)7-9/h8H,2-7H2,1H3
  • LYVLPCUIYWOEBI-UHFFFAOYSA-
  • NSC 147126
  • NSC147126
Show all 14 synonyms
  • Octane, 1,2-dichloro-
  • RefChem:1093794
  • SBB059980
  • SCHEMBL420467
  • SCHEMBL7875868
  • ST51046242

Structure identifiers

Canonical SMILES
CCCCCCC(Cl)CCl
Isomeric SMILES
CCCCCCC(CCl)Cl
InChI
InChI=1S/C8H16Cl2/c1-2-3-4-5-6-8(10)7-9/h8H,2-7H2,1H3
InChIKey
LYVLPCUIYWOEBI-UHFFFAOYSA-N
PubChem CID
168010

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1,2-dichlorooctane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,2-dichlorooctane; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
1,2-dichlorooctane - Formula, Structure | ChemArche