≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CCC2=C(C(=C(C=C2C1)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | 3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol |
| InChIKey | IZGSABWUJQZVAQ-UHFFFAOYSA-N |
| INCHI | 1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2 |
| Isomeric SMILES | C1CCC2=C(C(=C(C=C2C1)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F |
| PubChem CID | 11399884 |
| Molecular Weight | 718.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Phenylnaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylnaphthalenes |
| Alternative Parents | Trifluoromethylbenzenes Tetralins Phenols Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenylnaphthalene - Trifluoromethylbenzene - Tetralin - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
| External Descriptors | Not available |
| Melt Point(°C) | 195-196°C |
|---|---|
| Molecular Weight | 718.600 g/mol |
| XLogP3 | 12.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 3 |
| Exact Mass | 718.174 Da |
| Monoisotopic Mass | 718.174 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| 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 |
