4-Tert-butyl-2-chloro-1-methylbenzene structure

4-Tert-butyl-2-chloro-1-methylbenzene

4-tert-butyl-2-chloro-1-methylbenzene

Also Known As: 4-t-butyl-2-chlorotoluene|2-Chloro-4-tert-butyltoluene|4-tert-butyl-2-chloro-1-methylbenzene|5-tert-Butyl-2-methylphenyl chloride|4-(tert-butyl)-2-chloro-1-methylbenzene|Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl)|2-chloro-4-(1,1-dimethylethyl)-1-methylbenzene|J1.529.702F|4-(1,1-Demethylethyl)-1-methyl-2-chlorobenzol

CAS: 42597-10-4
Molecular Formula C11H15Cl
Molecular Weight 182.08623 g/mol
LogP 4.6
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
Rotatable Bonds 1
Exact Mass 182.08623
Monoisotopic Mass 182.08623
Heavy Atoms 12
Complexity 146.0

Chemical Identifiers

CAS Number 42597-10-4
SMILES CC1=C(C=C(C=C1)C(C)(C)C)Cl
InChIKey GPHQXTFRTJKHPI-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Organic Building Blocks (24 patents)

Product Overview

4-Tert-butyl-2-chloro-1-methylbenzene (CAS 42597-10-4), with molecular formula C11H15Cl and molecular weight 182.08623 g/mol. IUPAC: 4-tert-butyl-2-chloro-1-methylbenzene.

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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.
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