3-Chloro-3',5-difluorobenzhydrol
Basic information
- CAS
844683-61-0- Standard SMILES
OC(c1cccc(F)c1)c1cc(F)cc(Cl)c1- InChIKey
RGBKGNVWRLEJTG-UHFFFAOYSA-N- Molecular formula
- C13H9ClF2O
- Average molar mass
- 254.66 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-3',5-difluorobenzhydrol
- IUPAC
- (3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
- English name
- 3-Chloro-3',5'-difluorobenzhydrol
- Molecular formula
- C13H9ClF2O
- Molecular weight
- 254.66
Names & synonyms
3-Chloro-3',5-difluorobenzhydrol844683-61-0(3-chloro-5-fluorophenyl)(3-fluorophenyl)methanol(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanolMFCD06201317SBB101476F022490(3-chloro-5-fluoro-phenyl)-(3-fluorophenyl)methanol(5-chloro-3-fluorophenyl)(3-fluorophenyl)methan-1-ol3-Chloro-3',5'-difluorobenzhydrol3-Chloro-5-fluoro-α-(3-fluorophenyl)benzenemethanol
Database identifiers
- CAS
844683-61-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 334.137 · 334.137±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.709 · 12.709±0.20(predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2906290090 · 2906290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906290090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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