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Molecule record

1,2-dichlorobutane

C4H8Cl2

127.01 g/mol

Loading structure

Molecular properties

Formula
C4H8Cl2
Molar mass
127.01 g·mol−1
Exact mass
126.0003 Da
0
PubChem CID
12017

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • (+-)-1,2-DICHLOROBUTANE
  • 1,2-Butylene chloride
  • 1,2-DICHLOROBUTANE [HSDB]
  • 1,2-Dichlorobutane, 98%
  • 1,2-dichloro-butane
  • 210-469-5
  • 45N8M9T967
  • 616-21-7
Show all 24 synonyms
  • Butane, 1,2-dichloro-
  • Butane, 1,2dichloro
  • Butane,2-dichloro-
  • DL-1,2-DICHLOROBUTANE
  • DTXCID907244
  • DTXSID8027244
  • EINECS 210-469-5
  • HSDB 5717
  • InChI=1/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
  • MFCD00013676
  • NSC 93880
  • NSC93880
  • PQBOTZNYFQWRHU-UHFFFAOYSA-
  • PQBOTZNYFQWRHU-UHFFFAOYSA-N
  • RefChem:71860
  • UNII-45N8M9T967

Structure identifiers

Canonical SMILES
CCC(Cl)CCl
Isomeric SMILES
CCC(CCl)Cl
InChI
InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey
PQBOTZNYFQWRHU-UHFFFAOYSA-N
PubChem CID
12017

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-dichlorobutane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,2-dichlorobutane; 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