2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-ol
Basic information
- CAS
1737-23-1- Standard SMILES
Cc1cccc(C(O)C(F)(F)F)c1- InChIKey
MTCMVMYGHLVKTA-UHFFFAOYSA-N- Molecular formula
- C9H9F3O
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.06054939
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-ol
- IUPAC
- 2,2,2-trifluoro-1-(3-methylphenyl)ethanol
- English name
- 2,2,2-Trifluoro-1-(m-tolyl)ethanol
- Molecular formula
- C9H9F3O
- Molecular weight
- 190.16
Names & synonyms
1737-23-12,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-olDTXSID50505333RefChem:242474DTXCID404561432,2,2-TRIFLUORO-1-(M-TOLYL)ETHANOL3-Methyl-alpha-(trifluoromethyl)benzyl AlcoholMFCD002331122,2,2-Trifluoro-1-(m-tolyl)ethan-1-olSCHEMBL7214402SCHEMBL13736755MTCMVMYGHLVKTA-UHFFFAOYSA-N
Show more names
Benzenemethanol, 3-methyl-α-(trifluoromethyl)-
BAA73723AKOS010909504SB84730SY249791CS-0448385EN300-90713F771101Z1603855707
Database identifiers
- CAS
1737-23-1- PubChem CID
- 12640347
- DTXSID
DTXSID50505333- Nikkaji
- J978.889A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 111 · 111-112°/27mm
- Density
- 1.25 · 1.25
- refractive index
- 1.464 · 1.464
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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