Molecular properties
- Formula
- C4H9Cl
- Molar mass
- 92.57 g·mol−1
- Exact mass
- 92.0393 Da
- 0
- 0
- 0
- 0.00 Ų
- 1.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 507-20-0
- PubChem CID
- 10486
Molecule record
tert-Butyl chloride
C4H9Cl
92.57 g/mol
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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-Chloro-2-methylpropane
- 2-Chloroisobutane
- 2-Methyl-2-chloropropane
- 2-Methyl-2-propyl chloride
- 507-20-0
- AI3-30754
- BRN 1730872
- BUTYL CHLORIDE, TERT-
Show all 22 synonyms
- CCRIS 9388
- Chlorotrimethylmethane
- DTXCID803937
- DTXSID2023937
- EC 208-066-4
- EINECS 208-066-4
- JN2YO95TZ0
- NSC 6527
- NSC-6527
- Propane, 2-chloro-2-methyl-
- TERT-BUTYL CHLORIDE [MI]
- Trimethylchloromethane
- t-Butylchloride
- tert-Butylchloride
Structure identifiers
- Canonical SMILES
- CC(C)(C)Cl
- Isomeric SMILES
- CC(C)(C)Cl
- InChI
- InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
- InChIKey
- NBRKLOOSMBRFMH-UHFFFAOYSA-N
- PubChem CID
- 10486
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for tert-Butyl chloride; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for tert-Butyl chloride; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.