Pyridin-3-yl[3-(trifluoromethyl)phenyl]methanol
Basic information
- CAS
89667-20-9- Standard SMILES
OC(c1cccnc1)c1cccc(C(F)(F)F)c1- InChIKey
WHMOFSLPOYNDOR-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO
- Average molar mass
- 253.22 g/mol
- Monoisotopic mass
- 253.07144843
Names & identifiers
- Preferred name
- Pyridin-3-yl[3-(trifluoromethyl)phenyl]methanol
- IUPAC
- pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanol
- English name
- pyridin-3-yl[3-(trifluoromethyl)phenyl]methanol
- Molecular formula
- C13H10F3NO
- Molecular weight
- 253.22
Names & synonyms
pyridin-3-yl[3-(trifluoromethyl)phenyl]methanol89667-20-9pyridin-3-yl(3-(trifluoromethyl)phenyl)methanolRefChem:870562856-226-2(pyridin-3-yl)[3-(trifluoromethyl)phenyl]methanolPyridin-3-yl-[3-(trifluoromethyl)phenyl]methanolPDA66720MFCD12833810EN300-119827a-[3-(Trifluoromethyl)phenyl]-3-pyridinemethanolalpha-[3-(Trifluoromethyl)phenyl]-3-pyridinemethanol
Show more names
α-[3-(Trifluoromethyl)phenyl]-3-pyridinemethanol3-Pyridinemethanol, α-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
89667-20-9- PubChem CID
- 11288231
- EC Number
- 856-226-2
- Nikkaji
- J1.956.032E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 134 · 134-138 °C(Press: 0.1 Torr)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 12.68 · 12.68±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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