4-Chloro-2,3,6-trimethylphenol
4-chloro-2,3,6-trimethylphenol
Also Known As: 4-chloro-2,3,6-trimethylphenol|Phenol,3,6-trimethyl-|Phenol, 4-chloro-2,3,6-trimethyl-|2,3,6-trimethyl-4-chlorophenol|Phenol,4-chloro-2,3,6-trimethyl
CAS: 82029-01-4
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.04984 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04984 |
| Monoisotopic Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 82029-01-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)C)C)Cl |
| InChIKey | XNQJHONAJJVDKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (27 patents)
Organic Building Blocks (12 patents)
Pharmaceutical Intermediates (7 patents)
Photographic Chemicals (2 patents)
Product Overview
4-Chloro-2,3,6-trimethylphenol (CAS 82029-01-4), with molecular formula C9H11ClO and molecular weight 170.04984 g/mol. IUPAC: 4-chloro-2,3,6-trimethylphenol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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