2-(Trifluoromethyl)benzenethiol (sometimes written 2-(trifluoromethyl)thiophenol; CAS 13333-97-6) is a small, halogenated aromatic thiol used mainly as a specialty intermediate in medicinal-chemistry, agrochemical and materials research. Below is an SEO-friendly, technically accurate overview you can use on a chemical supplier site, blog, or product catalog.
Chemical name: 2-(Trifluoromethyl)benzenethiol (o-(CF₃)-C₆H₄-SH)
CAS: 13333-97-6
Molecular formula: C₇H₅F₃S
Approx. mol. weight: ~178 g·mol⁻¹.
Key physical/chemical notes found in supplier and database records:
Appearance: colorless to light yellow liquid (often with a characteristic thiol odor).
Boiling point / flash point and density are reported in product datasheets (boiling ~175–177 °C reported; flash point values and density available from supplier pages). Always consult the product COA/SDS for the batch-specific values.
Predicted pK_a in the weak-acid range (thiophenol-type acidity ~5–6, reported predictions ~5.7).
The –CF₃ group significantly alters electronic properties (strong electron-withdrawing), while the –SH group provides chemoselective reactivity (nucleophilicity, ability to form C–S bonds, metal coordination). That combination makes this compound a useful building block in designing molecules with tuned lipophilicity and metabolic stability.
Pharmaceutical & medicinal chemistry intermediates — used to introduce sulfur and trifluoromethyl motifs into heterocycles and lead compounds; useful for structure–activity-relationship (SAR) exploration where altered lipophilicity, metabolic stability or binding profiles are desired.
Agrochemical research — a building block for designing herbicides, fungicides, and insecticide candidates where CF₃ substitution brings desirable properties.
Ligand and material synthesis — thiols are used to prepare thioethers, sulfonyl derivatives, or to anchor organics to metal surfaces (self-assembled monolayers) in some research contexts. The trifluoromethyl substituent tailors electronic/thermal behavior.
Custom synthesis & R&D — sold by chemical suppliers as a research intermediate (lab quantities to kg scale) for medicinal-chemistry and process development. Product listings and COA pages indicate it’s commonly stocked for these uses.
This is a hazardous substance and should be handled only by trained personnel with appropriate PPE and engineering controls.
Hazard profile: toxic if swallowed, in contact with skin, or if inhaled; causes skin and eye irritation; may cause respiratory irritation; flammable liquid category noted in supplier SDS. Consult the product SDS for full hazard statements and emergency measures.
PPE & engineering controls: nitrile gloves, eye protection, lab coat, and work in a fume hood. Avoid sources of ignition.
Storage: keep in tightly sealed containers, under inert atmosphere or refrigerated conditions where recommended by supplier; store away from oxidizers and heat. See manufacturer SDS for exact storage conditions.
2-(Trifluoromethyl)benzenethiol is offered by specialty chemical suppliers and custom-synthesis houses in research and bulk grades; COAs typically quote purities ≥95–98% depending on the grade. Buyers should request batch COA, MSDS/SDS, and (for regulated work) shipment documentation. Typical storage and shipping notes are available on supplier product pages.
Short version: there is no widely-published, standalone “13333-97-6 market” report in major public databases; demand for this specific thiophenol follows broader trends for specialty fluorinated and thiol intermediates used in pharmaceuticals, agrochemicals, and fine chemicals. However, regional supplier listings and niche market reports indicate steady R&D and small-scale production demand, with Asia–Pacific being a significant manufacturing region.
Drivers supporting demand in 2025
Continued R&D in pharma and agrochemicals: CF₃ substitution remains a common strategy in drug/agro design to modulate potency and pharmacokinetics, so intermediates that deliver CF₃ + functional anchor points (like thiols) retain research demand.
Asia–Pacific manufacturing growth: supplier and market pages flag APAC (China, India, Japan) as areas of highest growth for small specialty intermediates—driven by cost-competitive synthesis and rising local R&D/manufacturing.
Specialty chemicals & custom synthesis model: many buyers purchase on demand (mg–kg scale) rather than as commodity tonnage; that keeps unit prices higher and supply concentrated among specialty suppliers. Product listings reflect this.
Numbers & reports: general benzenethiol/thiophenol solution market reports and fluorinated-building-block market analyses (adjacent markets) project modest growth in the mid-2020s driven by pharma and agro sectors; however, these reports cover broad classes (benzenethiol solutions, trifluoromethyl compounds) rather than CAS-specific volume for 13333-97-6. Use these broader reports to infer trends—don’t treat them as a direct market-size figure for this single CAS. Example sources on related markets are available from market research publishers.
Request COA & SDS for any lot before purchase. Verify purity and residual solvents.
Consider lead times & MOQ—specialty intermediates often have minimum order quantities and lead times for >100 g scales.
If scale-up is intended, discuss with suppliers about route optimization, alternative CF₃-installation strategies, and cost-drivers (CF₃ sources, thiolation reagents). Custom-synthesis partners can often provide scale quotes and route suggestions.
2-(Trifluoromethyl)benzenethiol (CAS 13333-97-6) is a specialty thiol widely used as an intermediate for introducing both sulfur and trifluoromethyl functionality into target molecules. It’s primarily a research and fine-chemical feedstock with steady demand tied to pharma and agrochemical R&D. Safety precautions and supplier COA/SDS review are essential when handling or purchasing. Market demand in 2025 remains niche and R&D-driven, with the Asia–Pacific region an important manufacturing and sourcing hub.
