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Molecule record

1-chloro-2-methylpropane

C4H9Cl

92.57 g/mol

Loading structure

Molecular properties

Formula
C4H9Cl
Molar mass
92.57 g·mol−1
Exact mass
92.0393 Da
0
PubChem CID
10554

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-chloro-2-methyl-propane
  • 1Chloro2methylpropane
  • 2-CHLOROMETHYLPROPANE
  • 2-METHYL-1-CHLOROPROPANE
  • 2-METHYLPROPYL CHLORIDE
  • 513-36-0
  • 95E08D17M7
  • DTXCID7040996
Show all 24 synonyms
  • DTXSID4060153
  • EINECS 208-157-9
  • ISOBUTYL CHLORIDE
  • ISOBUTYL CHLORIDE [MI]
  • MFCD00000954
  • Propane, 1-chloro-2-methyl-
  • Propane, 1chloro2methyl
  • QTBFPMKWQKYFLR-UHFFFAOYSA-N
  • RefChem:149078
  • SCHEMBL23367
  • SCHEMBL83424
  • SCHEMBL96249
  • UN1127
  • UNII-95E08D17M7
  • iso-C4H9Cl
  • isobutylchlorid

Structure identifiers

Canonical SMILES
CC(C)CCl
Isomeric SMILES
CC(C)CCl
InChI
InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey
QTBFPMKWQKYFLR-UHFFFAOYSA-N
PubChem CID
10554

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-chloro-2-methylpropane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-chloro-2-methylpropane; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record