≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)O |
|---|---|
| IUPAC Name | 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol |
| InChIKey | XBQISEWBYMWLET-UHFFFAOYSA-N |
| INCHI | 1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H |
| Isomeric SMILES | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)O |
| PubChem CID | 578594 |
| Molecular Weight | 260.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
| Alternative Parents | Benzene and substituted derivatives Tertiary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position. |
| External Descriptors | Not available |
| Melt Point(°C) | 122.5-123.5 |
|---|---|
| Molecular Weight | 260.130 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 260.027 Da |
| Monoisotopic Mass | 260.027 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H2528462