1-(tert-Butyl)-4-(trichloromethyl)benzene

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Basic information

CAS: 153357-88-1
Standard SMILES: CC(C)(C)c1ccc(C(Cl)(Cl)Cl)cc1
InChIKey: DMHZIYQPBZXJTK-UHFFFAOYSA-N
Molecular formula: C11H13Cl3
Average molar mass: 251.6 g/mol

Names & identifiers

Preferred name: 1-(tert-Butyl)-4-(trichloromethyl)benzene
IUPAC: 1-tert-butyl-4-(trichloromethyl)benzene
English name: Butenafine Impurity 7
Molecular formula: C11H13Cl3
Molecular weight: 251.58

Names & synonyms

153357-88-11-(tert-Butyl)-4-(trichloromethyl)benzene1-(1,1-Dimethylethyl)-4-(trichloromethyl)benzeneSCHEMBL11209484ButefineImpurity6Butenafine Impurity 7Benzene, 1-(1,1-dimethylethyl)-4-(trichloromethyl)-

Database identifiers

CAS: 153357-88-1

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 282.1 · 282.1±35.0 °C(Predicted)
Density: 1.212 · 1.212±0.06 g/cm3(Predicted)

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Compound notes

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