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Molecule record

1,3-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
14480

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 1,3-Dichloro-butane
  • 1,3-Dichlorobutane, 99%
  • 1190-22-3
  • AKOS006221689
  • BS-43853
  • Butane, 1,3-dichloro-
  • CHEMBL352037
  • CS-0442069
Show all 21 synonyms
  • D0348
  • D89632
  • DTXSID90870855
  • EINECS 214-718-9
  • F766772
  • MFCD00000870
  • NS00042734
  • SCHEMBL162994
  • SCHEMBL231260
  • SCHEMBL245347
  • SCHEMBL5395251
  • SCHEMBL6239724
  • SY051462

Structure identifiers

Canonical SMILES
CC(Cl)CCCl
Isomeric SMILES
CC(CCCl)Cl
InChI
InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey
QBGVARBIQGHVKR-UHFFFAOYSA-N
PubChem CID
14480

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 1,3-dichlorobutane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-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
1,3-dichlorobutane - Formula, Structure | ChemArche