≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC(=C1)S)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(trifluoromethyl)benzenethiol |
| InChIKey | SCURCOWZQJIUGR-UHFFFAOYSA-N |
| INCHI | 1S/C7H5F3S/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H |
| Isomeric SMILES | C1=CC(=CC(=C1)S)C(F)(F)F |
| PubChem CID | 136751 |
| Molecular Weight | 178.17 |
| Reaxy-Rn | 1943114 |
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 | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Thiophenols Thiols Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| 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 |
|---|---|---|---|
 H2121217 | Certificate of Analysis | Jun 06, 2025 | T162366 |
| H2121218 | Certificate of Analysis | Jun 06, 2025 | T162366 |
| H2121219 | Certificate of Analysis | Jun 06, 2025 | T162366 |
| H2121220 | Certificate of Analysis | Jun 06, 2025 | T162366 |
| Sensitivity | air & heat sensitive |
|---|---|
| Refractive Index | 1.49 |
| Flash Point(°C) | 63 °C |
| Boil Point(°C) | 163°C(lit.) |
| Molecular Weight | 178.180 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 178.006 Da |
| Monoisotopic Mass | 178.006 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
| 1. Hao Hao, Meng Liu, Ge Tang, Yi Liu, Feng-Lei Jiang. (2024) CdSe/ZnS Quantum Dots with Enhanced Stability and Conductivity by Thiolphenyl Ligands for Displays. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.4c01133] |
| 2. Ge Tang, Xiao-Hang He, Meng Liu, Hao Hao, Yi Liu, Feng-Lei Jiang. (2024) Insights into the Fluorescence Quenching of CdSeS Quantum Dots by Thiophenol Ligands. Journal of Physical Chemistry C, [PMID:] [10.1021/acs.jpcc.4c01302] |
