2-Chloro-2-phenylethanol
Basic information
- CAS
1004-99-5- Standard SMILES
OCC(Cl)c1ccccc1- InChIKey
WTGUAUVAXDZHJX-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 2-Chloro-2-phenylethanol
- IUPAC
- 2-chloro-2-phenylethanol
- English name
- 2-Phenyl-2-chloroethanol
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
2-chloro-2-phenylethanol1004-99-5DTXSID70452911RefChem:258401DTXCID604037302-chloro-2-phenylethan-1-ol2-Phenyl-2-chloroethanol2-chloro-2-phenyl-ethanolSCHEMBL1146364SCHEMBL8609744HS-3796β-Chlorobenzeneethanol
Show more names
Benzeneethanol, β-chloro-
Database identifiers
- CAS
1004-99-5- PubChem CID
- 11040944
- DTXSID
DTXSID70452911- Nikkaji
- J44.194E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.3
Physicochemical properties
- Boiling point
- 106 · 106-120 °C(Press: 5-6 Torr)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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