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4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS 327-78-6ClC6H3(CF3)NCOChemical Synthesis

4-Chloro-3-(trifluoromethyl)phenyl isocyanate (CAS: 327-78-6), with the molecular formula ClC6H3(CF3)NCO and a molar mass of 221.56 g/mol, is a valuable organic building block. This chemical is utilised in various synthetic pathways, primarily within research and development and chemical synthesis. Its reactive isocyanate group makes it a key intermediate for creating more complex molecules in diverse chemical applications.

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4-Chloro-3-(trifluoromethyl)phenyl isocyanate (ClC6H3(CF3)NCO) — chemical structure, CAS 327-78-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Serves as a crucial intermediate in the synthesis of novel organic compounds. Its reactive isocyanate moiety readily participates in addition reactions with nucleophiles like alcohols, amines, and thiols, facilitating the construction of diverse molecular scaffolds.

Pharmaceutical Research

A building block used in the exploration of new pharmaceutical agents. Its trifluoromethyl and chloro substituents can impart specific electronic and lipophilic properties to target molecules, influencing their biological activity.

Agrochemical Development

Employed in the development of new agrochemicals. The structural features of this isocyanate can be incorporated into molecules designed for crop protection, potentially enhancing efficacy or modifying spectrum of activity.

Materials Science

Utilised in the synthesis of specialized polymers or functional materials. The incorporation of the trifluoromethylphenyl group can influence material properties such as thermal stability or surface characteristics.

02 /Properties
Molecular weight221.56
Linear formulaClC6H3(CF3)NCO
Assay98%
Boiling point86-90 °C/14 mmHg(lit.)
Melting point40-42 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Flash point99 °C / 210.2 °F
Transport (UN / ADR)UN 2811 6.1 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37-36/37/38
Safety statements (S)7-26-27-37/39

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

04 /Identifiers & registry
CAS number
327-78-6
MDL number
MFCD00013874
PubChem substance
24863347
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-Chloro-3-(trifluoromethyl)phenyl isocyanate used for?

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4-Chloro-3-(trifluoromethyl)phenyl isocyanate (CAS: 327-78-6) is primarily used as a building block in organic synthesis for the development of pharmaceuticals, agrochemicals, and specialized materials. Its reactive isocyanate group facilitates the creation of more complex molecules.

What are the CAS number and molecular formula for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate?

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The CAS number for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is 327-78-6, and its molecular formula is ClC6H3(CF3)NCO.

What grade and purity does Tech Serve Solutions supply for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate?

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Tech Serve Solutions supplies 4-Chloro-3-(trifluoromethyl)phenyl isocyanate with an assay of 98%. We do not represent this product as USP, BP, EP, or pharmacopoeia grade.

How should 4-Chloro-3-(trifluoromethyl)phenyl isocyanate be handled safely?

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4-Chloro-3-(trifluoromethyl)phenyl isocyanate is classified with GHS07 signal word 'Warning'. It carries hazard statements including H302 (Harmful if swallowed), H312 (Harmful in contact with skin), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), and H335 (May cause respiratory irritation). Appropriate personal protective equipment, including a dust mask (type N95 US), eyeshields, and gloves, is essential. Ensure adequate ventilation and avoid breathing dust/fumes. Follow precautionary statements P261, P280, and P305 + P351 + P338.

Is 4-Chloro-3-(trifluoromethyl)phenyl isocyanate suitable for export?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, and 4-Chloro-3-(trifluoromethyl)phenyl isocyanate can be exported. It is classified under UN 2811 with hazard class 6.1 and Packing Group III.

How can I request a sample or quote for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate?

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To request a sample or a quote for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, please contact our sales team through the TSS website or by phone. Provide the product name and CAS number (327-78-6) for prompt service.

Need 4-Chloro-3-(trifluoromethyl)phenyl isocyanate in a specific grade or volume?