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Trichloroacetonitrile

CAS 545-06-2Cl3CCNChemical Synthesis

Trichloroacetonitrile (CAS: 545-06-2), with the molecular formula Cl₃CCN and a molar mass of 144.39 g/mol, is a highly reactive organochlorine compound. It serves as a versatile building block in organic synthesis, particularly in the preparation of various nitrogen-containing heterocycles and other complex molecules. Its applications span research and development in chemical synthesis, contributing to the creation of novel chemical entities.

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Trichloroacetonitrile (Cl3CCN) — chemical structure, CAS 545-06-2; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC1 to C5Chemical SynthesisCyanides/NitrilesNitrogen Compounds
01 /Applications

Organic Synthesis Reagent

Trichloroacetonitrile is employed as a key reagent in various organic transformations. Its electrophilic nature allows for facile reactions with nucleophiles, making it valuable in constructing complex molecular frameworks and introducing the trichloromethyl group.

Building Block for Heterocycles

This compound is frequently utilized in the synthesis of diverse heterocyclic systems. It can participate in cyclization reactions to form nitrogen-containing rings, which are prevalent in pharmaceuticals and agrochemicals.

Intermediate in Fine Chemical Production

Trichloroacetonitrile acts as an important intermediate in the multi-step synthesis of fine chemicals and specialized organic compounds. Its controlled reactivity enables chemists to precisely introduce specific functional groups.

02 /Properties
Molecular weight144.39
Linear formulaCl3CCN
Assay≥95.0% (GC)
Gradepurum
Boiling point83-84 °C(lit.)
Density1.44 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.441(lit.)n20/D 1.441
Vapour pressure58 mmHg (20 °C)
03 /Safety & handling
GHS hazard pictogram: Toxic (GHS06)
Toxic
GHS hazard pictogram: Environmental hazard (GHS09)
Environmental hazard
Danger

Hazard statements

  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H331Toxic if inhaled
  • H411Toxic to aquatic life with long-lasting effects

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P273Avoid release to the environment
  • P280Wear protective gloves, clothing and eye/face protection
  • P301IF SWALLOWED
  • P311Call a POISON CENTER or doctor
Protective equipmentFaceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point195 °C / 383 °F
Transport (UN / ADR)UN 3276 6.1 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)T,N
Risk statements (R)23/24/25-51/53
Safety statements (S)45-61

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

04 /Identifiers & registry
CAS number
545-06-2
MDL number
MFCD00001842
PubChem substance
24889442
Beilstein registry
605572
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 Trichloroacetonitrile primarily used for?

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Trichloroacetonitrile (CAS: 545-06-2) is primarily used as a versatile building block and reagent in organic synthesis, particularly for the preparation of nitrogen-containing heterocycles and other complex molecules in chemical research and development.

What is the CAS number and molecular formula for Trichloroacetonitrile?

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The CAS number for Trichloroacetonitrile is 545-06-2, and its molecular formula is Cl₃CCN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Trichloroacetonitrile with a minimum purity of ≥95.0% (GC), conforming to the 'purum' grade. We do not represent this product as USP, BP, or EP grade.

How should Trichloroacetonitrile be handled safely?

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Trichloroacetonitrile is a highly toxic compound that demands careful handling. It is labelled with GHS06 and GHS09 symbols, indicating acute toxicity and environmental hazard. Appropriate personal protective equipment, including faceshields, chemical-resistant gloves, goggles, and a suitable respirator filter (e.g., ABEK), must be used. Handle in a well-ventilated area or fume hood, and avoid release into the environment.

How is Trichloroacetonitrile packed and exported?

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Trichloroacetonitrile is packed in compliance with UN 3276, Class 6.1, Packing Group III regulations for safe transportation. Tech Serve Solutions, as a specialist global supplier and exporter, ensures adherence to all relevant shipping and export requirements for this hazardous material.

How can I request a quote or sample for Trichloroacetonitrile?

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To request a quote or obtain a sample of Trichloroacetonitrile, please contact our sales team directly via our website or listed contact details. Our experts will assist you with your inquiry.

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