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4-(Trifluoromethyl)phenyl isothiocyanate

CAS 1645-65-4CF3C6H4NCSChemical Synthesis

4-(Trifluoromethyl)phenyl isothiocyanate (CAS 1645-65-4, CF3C6H4NCS) is a chemical compound with a molecular weight of 203.18 g/mol. It functions as a versatile building block in organic synthesis. Its reactivity as an isothiocyanate makes it valuable for introducing the trifluoromethylphenyl moiety into various organic molecules, facilitating the creation of novel compounds for research and development in diverse chemical fields.

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4-(Trifluoromethyl)phenyl isothiocyanate (CF3C6H4NCS) — chemical structure, CAS 1645-65-4; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisOrganic Building BlocksSulfur CompoundsThiocyanates/Isothiocyanates
01 /Applications

Organic Synthesis Intermediate

Utilised as a key intermediate in the synthesis of complex organic molecules. The trifluoromethyl group and isothiocyanate functionality allow for diverse chemical transformations.

Research and Development

A valuable reagent in academic and industrial research laboratories for the development of new chemical entities and materials. It enables the construction of heterocyclic compounds and functionalised molecules.

Pharmaceutical Intermediate

Serves as a building block in the synthesis pathways for potential pharmaceutical candidates. Its structure can be incorporated into molecules designed for biological activity.

02 /Properties
Molecular weight203.18
Linear formulaCF3C6H4NCS
Assay97%
Boiling point81 °C/11 mmHg(lit.)
Melting point39-43 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H314Causes severe skin burns and eye damage
  • H334May cause allergy or asthma symptoms if inhaled

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Flash point113 °C / 235.4 °F
Transport (UN / ADR)UN 3261 8 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)C
Risk statements (R)34-42
Safety statements (S)26-36/37/39-45

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
1645-65-4
MDL number
MFCD00039645
PubChem substance
24871206
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 4-(Trifluoromethyl)phenyl isothiocyanate used for?

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4-(Trifluoromethyl)phenyl isothiocyanate is primarily used as a building block in organic synthesis and in research and development for creating new chemical entities, including potential pharmaceutical intermediates.

What is the CAS number and formula for 4-(Trifluoromethyl)phenyl isothiocyanate?

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The CAS number is 1645-65-4 and the molecular formula is CF3C6H4NCS.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-(Trifluoromethyl)phenyl isothiocyanate with an assay of 97%. We do not represent this product as USP, BP, or EP grade.

What are the safety precautions for handling 4-(Trifluoromethyl)phenyl isothiocyanate?

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This compound is classified as Danger, with hazards H314 (Causes severe skin burns and eye damage) and H334 (May cause allergy or asthma symptoms or breathing difficulties if inhaled). Appropriate personal protective equipment, including eyeshields, face shields, gloves, and respiratory protection (type N100 or P3), is essential. Handle in a well-ventilated area or under a fume hood.

How is 4-(Trifluoromethyl)phenyl isothiocyanate packed and shipped?

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As a global supplier and exporter, Tech Serve Solutions ensures that 4-(Trifluoromethyl)phenyl isothiocyanate is packed and shipped in compliance with all relevant regulations, including UN 3261 8 / PGII for transport.

How can I request a sample or quote for 4-(Trifluoromethyl)phenyl isothiocyanate?

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To request a sample or quote, please contact our sales team through the website or by phone, providing your specific requirements and delivery details.

Need 4-(Trifluoromethyl)phenyl isothiocyanate in a specific grade or volume?