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Basic Description
| Synonyms | AC-13596 | EN300-21764 | GQHWSLKNULCZGI-UHFFFAOYSA- | MFCD00040832 | Phenyl trifluoromethyl ether | AKOS000121056 | PS-11743 | Q18631950 | (Trifluoromethoxy)benzene | (trifluoromethoxy)-benzene | 1-(trifluoromethoxy)benzene | (Trifluoromethoxy)benzene, 99 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - 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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488184066 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184066 |
| IUPAC Name | trifluoromethoxybenzene |
| INCHI | InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H |
| InChIKey | GQHWSLKNULCZGI-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)OC(F)(F)F |
| Isomeric SMILES | C1=CC=C(C=C1)OC(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 68010 |
| UN Number | 1993 |
| Molecular Weight | 162.11 |
| Beilstein | 2043132 |
| Reaxy-Rn | 2043132 |
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 |
|---|---|---|---|
 I2423559 |
Certificate of Analysis | Jun 24, 2024 | T101190 |
| I2423556 |
Certificate of Analysis | Jun 24, 2024 | T101190 |
| I2423557 |
Certificate of Analysis | Jun 24, 2024 | T101190 |
| G2324163 |
Certificate of Analysis | Aug 08, 2023 | T101190 |
| G2324152 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324149 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324146 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324139 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324156 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324145 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| G2324161 |
Certificate of Analysis | Aug 07, 2023 | T101190 |
| I2321970 |
Certificate of Analysis | Jul 14, 2023 | T101190 |
| I2321971 |
Certificate of Analysis | Jul 14, 2023 | T101190 |
| B2303990 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B23031004 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B2303991 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B23031005 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B2303993 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B2303994 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| B2303995 |
Certificate of Analysis | Nov 28, 2022 | T101190 |
| J2212062 |
Certificate of Analysis | Sep 17, 2022 | T101190 |
| J2212061 |
Certificate of Analysis | Sep 17, 2022 | T101190 |
| J2212094 |
Certificate of Analysis | Sep 17, 2022 | T101190 |
| J2212064 |
Certificate of Analysis | Sep 17, 2022 | T101190 |
| I2208140 |
Certificate of Analysis | Jul 09, 2022 | T101190 |
| F1826065 |
Certificate of Analysis | Apr 27, 2022 | T101190 |
| F1826062 |
Certificate of Analysis | Apr 27, 2022 | T101190 |
| F1814065 |
Certificate of Analysis | Apr 27, 2022 | T101190 |
| E2231148 |
Certificate of Analysis | Mar 18, 2022 | T101190 |
| E2231129 |
Certificate of Analysis | Mar 18, 2022 | T101190 |
| E2231136 |
Certificate of Analysis | Mar 18, 2022 | T101190 |
| E2231144 |
Certificate of Analysis | Mar 18, 2022 | T101190 |
| C2201013 |
Certificate of Analysis | Mar 10, 2022 | T101190 |
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Chemical and Physical Properties
| Refractive Index | 1.41 |
|---|---|
| Flash Point(°F) | 53.6 °F |
| Flash Point(°C) | 12 °C |
| Boil Point(°C) | 104°C |
| Molecular Weight | 162.110 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.029 Da |
| Monoisotopic Mass | 162.029 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 115.000 |
| 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 |
Solution Calculators
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