≥94% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Application：
3,5-Bis(trifluoromethyl)thiophenol, is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
| Sonrisas canónicas | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
|---|---|
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenethiol |
| InChIKey | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
| INCHI | 1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H |
| Isómeros SMILES | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
| WGK Alemania | 3 |
| Peso molecular | 246.17 |
| Reaxy-Rn | 7925109 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7925109&ln= |
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 |
| Clase | 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 |
| Descripción | 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 F2510372 | Certificate of Analysis | Jun 24, 2025 | B707134 |
| F2510374 | Certificate of Analysis | Jun 24, 2025 | B707134 |
| F2510375 | Certificate of Analysis | Jun 24, 2025 | B707134 |
| F2510376 | Certificate of Analysis | Jun 24, 2025 | B707134 |
| F2511678 | Certificate of Analysis | Jun 24, 2025 | B707134 |
| Solubilidad | Insoluble in water but soluble in alcohol and ether. |
|---|---|
| Sensibilidad | Air sensitive. |
| Índice de refracción | 1.442 |
| Punto de inflamación (°F) | 149 °F |
| Punto de inflamación (°C) | 65 °C |
| Punto de ebullición (°C) | 167°C |
| Peso molecular | 246.170 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 245.994 Da |
| Monoisotopic Mass | 245.994 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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. Jinmao You, Kun Dou, Cuihua Song, Guoliang Li, Zhiwei Sun, Shijuan Zhang, Guang Chen, Xianen Zhao, Na Hu, Wu Zhou. (2017) 3-(2-Bromoacetamido)-N-(9-ethyl-9H)-carbazol fluorescent probe and its application for the determination of thiophenols in rubber products by HPLC with fluorescence detection and atmospheric chemical ionization mass spectrometry identification. JOURNAL OF SEPARATION SCIENCE, 40 (12): (2528-2540). [PMID:28371096] [10.1002/jssc.201601166] |
| 2. Xu Dong, Ruimin Li, Christian G. Schäfer, Fang Wang. (2017) Composite MF@Ag-NPs microspheres for label-free quantitative detection of uric acid. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2017.03.042] |
| 3. Ruimin Li, Yuting Zhang, Jing Tan, Jiaxun Wan, Jia Guo, Changchun Wang. (2016) Dual-Mode Encoded Magnetic Composite Microsphere Based on Fluorescence Reporters and Raman Probes as Covert Tag for Anticounterfeiting Applications. ACS Applied Materials & Interfaces, [PMID:27010437] [10.1021/acsami.6b02359] |
| 4. Sun Yanan, Lv Zhengxian, Sun Zhiwei, Wu Chuanxiang, Ji Zhongyin, You Jinmao. (2016) Determination of thiophenols with a novel fluorescence labelling reagent: analysis of industrial wastewater samples with SPE extraction coupled with HPLC. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408 (13): (3527-3536). [PMID:26968568] [10.1007/s00216-016-9429-8] |
| 5. Ling Chen, Xiangyu Ma, Tingting Wang, Qingliang Li, Ruru Qian, Mengting Cui, Haizhu Yu, Manzhou Zhu. (2026) Atom-by-atom size-evolution of Ag13-Ag15 nanoclusters: structure and catalytic CO2 conversion. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2026.123361] |
