4-(Trifluoromethoxy)phenol was employed in the catalytic enantioselective synthesis of esters.
| Pubchem Sid | 504754477 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754477 |
| Canonical Smiles | C1=CC(=CC=C1O)OC(F)(F)F |
| IUPAC Name | 4-(trifluoromethoxy)phenol |
| InChIKey | WDRJNKMAZMEYOF-UHFFFAOYSA-N |
| INCHI | 1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H |
| Isomeric SMILES | C1=CC(=CC=C1O)OC(F)(F)F |
| WGK Germany | 2 |
| PubChem CID | 70015 |
| UN Number | 2810 |
| Molecular Weight | 178.11 |
| Reaxy-Rn | 1945934 |
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 | 4-alkoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-alkoxyphenols |
| Alternative Parents | Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2202472 | Certificate of Analysis | Feb 04, 2026 | T109513 |
| H2202473 | Certificate of Analysis | Feb 04, 2026 | T109513 |
| H1802022 | Certificate of Analysis | Sep 24, 2025 | T109513 |
| H1802020 | Certificate of Analysis | Sep 24, 2025 | T109513 |
| B1421041 | Certificate of Analysis | Jul 09, 2025 | T109513 |
| K2415567 | Certificate of Analysis | Jul 05, 2024 | T109513 |
| K2415568 | Certificate of Analysis | Jul 05, 2024 | T109513 |
| Sensitivity | Hygroscopic,light sensitive |
|---|---|
| Refractive Index | 1.446-1.448 |
| Flash Point(°F) | 186.8 °F |
| Flash Point(°C) | 86℃ |
| Boil Point(°C) | 80°C |
| Melt Point(°C) | 17-18°C |
| Molecular Weight | 178.110 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.024 Da |
| Monoisotopic Mass | 178.024 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |
