Basic information
- CAS
17936-73-1- Standard SMILES
Cc1ccc(C(O)C(Cl)(Cl)Cl)cc1- InChIKey
YRIYSOAVLYSFEW-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3O
- Average molar mass
- 239.5 g/mol
- Monoisotopic mass
- 237.971898
Names & identifiers
- Preferred name
- 4-Methyl-alpha-(trichloromethyl)benzenemethanol
- IUPAC
- 2,2,2-trichloro-1-(4-methylphenyl)ethanol
- English name
- 1-(4-Methylphenyl)-2,2,2-trichloroethanol
- Molecular formula
- C9H9Cl3O
- Molecular weight
- 239.53
Names & synonyms
17936-73-1RefChem:10711244-Methyl-alpha-(trichloromethyl)benzenemethanol2,2,2-trichloro-1-p-tolylethanol2,2,2-trichloro-1-(4-methylphenyl)ethanol1-(4-Methylphenyl)-2,2,2-trichloroethanolBRN 1870865p-Methyl-alpha-(trichloromethyl)benzyl alcoholBENZYL ALCOHOL, p-METHYL-alpha-(TRICHLOROMETHYL)-2,2,2-Trichloro-1-(4-methylphenyl)ethan-1-ol4-06-00-03243 (Beilstein Handbook Reference)SCHEMBL11302427
Show more names
4-Methyl-α-(trichloromethyl)benzenemethanolBenzenemethanol, 4-methyl-α-(trichloromethyl)-(R*)-2,2,2-Trichloro-1-(4-methylphenyl)ethanolBenzeneMethanol, 4-Methyl-.alpha.-(trichloroMethyl)-
DTXSID60939206DA-202544-Methyl-|A-(trichloromethyl)benzenemethanol
Database identifiers
- CAS
17936-73-1- PubChem CID
- 28843
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 155 °C · 155 °C(Press: 13.5 Torr)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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