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2-(Trifluoromethyl)phenyl isocyanate

CAS 2285-12-3CF3C6H4NCOChemical Synthesis

2-(Trifluoromethyl)phenyl isocyanate (CAS 2285-12-3) is a valuable organic building block with the molecular formula CF3C6H4NCO and a molecular weight of 187.12 g/mol. This isocyanate derivative is primarily utilised in chemical synthesis for the introduction of the 2-(trifluoromethyl)phenylcarbamoyl group into various molecules. Its reactive isocyanate functionality makes it a key intermediate in the development of complex organic compounds and specialised chemical products.

IUPAC
α,α,α-Trifluoro-o-tolyl isocyanate
Synonyms
α,α,α-Trifluoro-o-tolyl isocyanate
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2-(Trifluoromethyl)phenyl isocyanate (CF3C6H4NCO) — chemical structure, CAS 2285-12-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Used as a building block in organic synthesis to create more complex molecules. The trifluoromethylphenyl moiety can be incorporated into target structures via reactions of the isocyanate group.

Pharmaceutical Intermediate Development

Serves as a precursor in the synthesis of novel compounds with potential pharmaceutical applications. The trifluoromethyl group often imparts unique pharmacokinetic properties to drug candidates.

Agrochemical Research

Can be employed in the research and development of new agrochemicals, where specific fluorinated aromatic structures are desired for biological activity.

02 /Properties
Molecular weight187.12
Linear formulaCF3C6H4NCO
Assay97%
Density1.238 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.4755(lit.)
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H226Flammable liquid and vapour
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentEyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point59 °C / 138.2 °F
Transport (UN / ADR)UN 3384 3(6.1) / PGI
Water hazard class (WGK, DE)2
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26-27-36/37/39

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

04 /Identifiers & registry
CAS number
2285-12-3
MDL number
MFCD00002008
PubChem substance
24849811
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 2-(Trifluoromethyl)phenyl isocyanate used for?

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2-(Trifluoromethyl)phenyl isocyanate is used as a building block in organic synthesis, particularly for introducing the 2-(trifluoromethyl)phenylcarbamoyl group in the development of potential pharmaceutical and agrochemical compounds.

What are the CAS number and chemical formula for 2-(Trifluoromethyl)phenyl isocyanate?

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The CAS number is 2285-12-3 and the chemical formula is CF3C6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-(Trifluoromethyl)phenyl isocyanate with a minimum purity of 97%. We do not represent this product as USP, BP, or EP grade.

How should 2-(Trifluoromethyl)phenyl isocyanate be handled safely?

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This compound is flammable (H226) and can cause skin (H315), eye (H319), and respiratory irritation (H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Store away from heat and ignition sources.

How is 2-(Trifluoromethyl)phenyl isocyanate packed, shipped, and exported?

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2-(Trifluoromethyl)phenyl isocyanate is carefully packed according to international shipping regulations for hazardous materials and is exported globally by Tech Serve Solutions.

How can I request a quote or sample for 2-(Trifluoromethyl)phenyl isocyanate?

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Please contact our sales team via the website or direct email to request a quote or to inquire about obtaining a sample.

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