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2-Chloro-4-(trifluoromethyl)phenyl isocyanate

CAS 51488-22-3ClC6H3(CF3)NCOChemical Synthesis

2-Chloro-4-(trifluoromethyl)phenyl isocyanate (CAS: 51488-22-3), with the molecular formula ClC6H3(CF3)NCO and a molecular weight of 221.56 g/mol, is a reactive organic compound. It serves as a valuable building block in organic synthesis. This isocyanate is typically utilised in the creation of more complex molecules, particularly in the pharmaceutical and agrochemical industries, owing to its specific functional groups.

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2-Chloro-4-(trifluoromethyl)phenyl isocyanate (ClC6H3(CF3)NCO) — chemical structure, CAS 51488-22-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

This isocyanate is a key intermediate in the synthesis of diverse organic compounds. Its reactive isocyanate group readily participates in addition reactions, making it useful for constructing complex molecular architectures.

Pharmaceutical & Agrochemical Research

It finds application in the research and development of new pharmaceutical agents and agrochemicals. The trifluoromethyl and chloro substituents offer unique electronic and steric properties for molecular design.

Specialty Chemical Production

Utilised in the production of various specialty chemicals, leveraging its specific reactivity for targeted chemical transformations in multi-step synthesis processes.

02 /Properties
Molecular weight221.56
Linear formulaClC6H3(CF3)NCO
Assay98%
Boiling point199 °C(lit.)
Density1.441 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.493(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H334May cause allergy or asthma symptoms 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
  • P342
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point99 °C / 210.2 °F
Transport (UN / ADR)UN 2206 6.1/PG 3
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)23-26-36/37-45

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

04 /Identifiers & registry
CAS number
51488-22-3
MDL number
MFCD01863685
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-Chloro-4-(trifluoromethyl)phenyl isocyanate used for?

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2-Chloro-4-(trifluoromethyl)phenyl isocyanate (CAS: 51488-22-3) is primarily used as a building block and intermediate in organic synthesis, particularly for the development of pharmaceutical and agrochemical compounds.

What are the CAS number and molecular formula?

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The CAS number is 51488-22-3 and the molecular formula is ClC6H3(CF3)NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-Chloro-4-(trifluoromethyl)phenyl isocyanate with an assay of 98%. This product is supplied for research and chemical synthesis purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.

How should 2-Chloro-4-(trifluoromethyl)phenyl isocyanate be handled?

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This compound is classified as Danger with hazards including skin and respiratory irritation, and potential for allergic reaction (H312, H315, H319, H332, H334, H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection. Ensure adequate ventilation.

How is this chemical packed and shipped?

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2-Chloro-4-(trifluoromethyl)phenyl isocyanate is packed and shipped in accordance with UN 2206 regulations (Class 6.1, PG 3). TSS is a global supplier and exporter, adhering to all relevant shipping and handling requirements.

How can I request a quote or sample?

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To request a quote or sample of 2-Chloro-4-(trifluoromethyl)phenyl isocyanate, please contact our sales team through the website or designated inquiry channels.

Need 2-Chloro-4-(trifluoromethyl)phenyl isocyanate in a specific grade or volume?