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Basic Description
| Synonyms | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol | 1737-27-5 | MFCD00461900 | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-ol | 1-(4-Methoxyphenyl)-2,2,2-trifluoroethanol | NSC 55523 | 17556-42-2 | Benzenemethanol, 4-methoxy-alpha-(trifluoromethyl)- | NSC55523 | 4-Methoxy-alpha-(t |
|---|---|
| Specifications & Purity | ≥98% |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenol ethers
- Subclass Anisoles
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Class
Phenol ethers
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Secondary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Fluorohydrin - Halohydrin - Secondary alcohol - Ether - Organohalogen compound - Organic oxygen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organooxygen compound - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488188966 |
|---|---|
| IUPAC Name | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol |
| INCHI | InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3 |
| InChIKey | MCAYQVHHKRKRLD-UHFFFAOYSA-N |
| Smiles | COC1=CC=C(C=C1)C(C(F)(F)F)O |
| Isomeric SMILES | COC1=CC=C(C=C1)C(C(F)(F)F)O |
| PubChem CID | 244560 |
| Molecular Weight | 206.16 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2219776 |
Certificate of Analysis | Aug 10, 2022 | T489616 |
| J2219653 |
Certificate of Analysis | Aug 10, 2022 | T489616 |
| J2219645 |
Certificate of Analysis | Aug 10, 2022 | T489616 |
Chemical and Physical Properties
| Boil Point(°C) | 87-88 °C |
|---|---|
| Molecular Weight | 206.160 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.055 Da |
| Monoisotopic Mass | 206.055 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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