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Molecule record

1-CHLOROHEPTANE

C7H15Cl

134.65 g/mol

2D structure for 1-CHLOROHEPTANE

Molecular properties

Formula
C7H15Cl
Molar mass
134.65 g·mol−1
Exact mass
134.0862 Da
0
0
0
0.00 Ų
4.2 (PubChem computed XLogP3-AA descriptor)
CAS
629-06-1
PubChem CID
12371

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkyl halide

Physical properties

PropertyValueConditionsSource
Logp4.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Chloroheptane, 99%
  • 1-chloro-heptane
  • 2F3Z1E37X5
  • 629-06-1
  • CHEMBL1797136
  • DTXSID4060864
  • EINECS 211-070-9
  • Heptane, 1-chloro-
Show all 22 synonyms
  • Heptyl chloride
  • MFCD00001021
  • SBB059954
  • SCHEMBL44335
  • SCHEMBL44534
  • SCHEMBL5424360
  • SCHEMBL613389
  • SCHEMBL6841419
  • SCHEMBL8922111
  • UNII-2F3Z1E37X5
  • chloroheptane
  • n-Heptyl chloride
  • normal-Heptyl chloride
  • orb3023458

Structure identifiers

Canonical SMILES
CCCCCCCCl
Isomeric SMILES
CCCCCCCCl
InChI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N
PubChem CID
12371

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-CHLOROHEPTANE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-CHLOROHEPTANE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record