Bis[3,5-bis(trifluoromethyl)phenyl]methanol
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Basic information
- CAS
87901-76-6- Standard SMILES
OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
DUCQGUCBWHWEBT-UHFFFAOYSA-N- Molecular formula
- C17H8F12O
- Average molar mass
- 456.22 g/mol
- Monoisotopic mass
- 456.0383528
Names & identifiers
- Preferred name
- Bis[3,5-bis(trifluoromethyl)phenyl]methanol
- IUPAC
- bis[3,5-bis(trifluoromethyl)phenyl]methanol
- English name
- 3,3',5,5'-TETRAKIS(TRIFLUOROMETHYL)BENZHYDROL
- Molecular formula
- C17H8F12O
- Molecular weight
- 456.23
Names & synonyms
87901-76-6bis[3,5-bis(trifluoromethyl)phenyl]methanol3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrolbis(3,5-bis(trifluoromethyl)phenyl)methanolMFCD000424753,3,5,5-Tetrakis(trifluoromethyl)benzhydrol, 97%3,3,5,5-tetrakis(trifluoromethyl)benzhydrolC17H8F12OCDS1_000605Maybridge1_0028933,3',5,5'-tetrakis-trifluoromethylbenzhydrolDivK1c_001645
Show more names
3,3DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]METHANOL3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol97%3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol 97%Benzenemethanol, α-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)-
SCHEMBL4145700CHEMBL4578018SCHEMBL14471508HMS549L11DTXSID30380261DUCQGUCBWHWEBT-UHFFFAOYSA-NAKOS015852750CS-0456868
Database identifiers
- CAS
87901-76-6- PubChem CID
- 2776818
- DTXSID
DTXSID30380261- ChEMBL
CHEMBL4578018
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 148 °C · 148°C
- CAS DataBase Reference
- 87901 · 87901-76-6(CAS DataBase Reference)
- Hazard Codes
- Xi
- Safety Statements
- 22 · 22-24/25
- HazardClass
- 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
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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