2,2,2-trichloroacetonitrile
C2Cl3N
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Identification
- CAS Number
- 545-06-2
- EC Number
- 208-885-7
- UN Number
- 3382
- Index Number
- 608-002-00-9
- PubChem CID
- 11011
Physical-chemical properties
- Molecular Formula
- C2Cl3N
- Molar Mass
- 144.38 g/mol
- IUPAC Name
- 2,2,2-trichloroacetonitrile
Chemical Identifiers
- InChI
- InChI=1S/C2Cl3N/c3-2(4,5)1-6
- InChI Key
- DRUIESSIVFYOMK-UHFFFAOYSA-N
Overview
2,2,2-trichloroacetonitrile (CAS 545-06-2) is an organochlorine nitrile compound with high acute toxicity and significant industrial applications. This halogenated nitrile represents an important class of chemical intermediates widely utilized in pharmaceutical synthesis and specialty chemical manufacturing. With the molecular formula C2Cl3N and a molecular weight of 144.38 g/mol, 2,2,2-trichloroacetonitrile exhibits distinctive reactivity patterns due to the electron-withdrawing effects of three chlorine atoms attached to the methyl carbon adjacent to the nitrile group. This structural configuration creates a highly electrophilic compound that serves as a valuable building block in organic synthesis. The substance carries significant safety considerations, classified under GHS06 and GHS09 pictograms with "Danger" signal word. Its Acute Tox. 3 classification across multiple exposure routes requires strict handling protocols and appropriate personal protective equipment. The compound also presents environmental concerns with its Aquatic Chronic 2 classification, necessitating careful containment and disposal procedures. Transportation falls under ADR Class 6.1, reflecting its toxic nature. Primary industrial applications include pharmaceutical intermediate synthesis, where its reactivity enables the formation of complex heterocyclic compounds, agrochemical production as a precursor for active ingredients, and specialty polymer synthesis. The compound shares similar applications with related nitriles such as 2-chloroacetonitrile, though the tri-chlorinated variant offers enhanced reactivity for specific synthetic pathways. OYSI maintains reliable supply chains for 2,2,2-trichloroacetonitrile, supporting European manufacturers with comprehensive technical documentation and regulatory compliance support for this critical chemical intermediate.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3382 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/D |
| Proper Shipping Name | Trichloracetonitril |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,2,2-trichloroacetonitrile?
2,2,2-trichloroacetonitrile is an organochlorine compound with the molecular formula C2Cl3N and CAS number 545-06-2. This chemical features three chlorine atoms attached to the methyl carbon of acetonitrile, creating a highly chlorinated nitrile compound with a molecular weight of 144.38 g/mol. It is classified as a highly toxic substance requiring careful handling due to its acute toxicity properties and environmental hazards.
What are the physicochemical properties of 2,2,2-trichloroacetonitrile?
2,2,2-trichloroacetonitrile is typically a colorless to pale yellow liquid at room temperature with a characteristic sharp, pungent odor. The compound has limited solubility in water but is generally soluble in organic solvents such as alcohols and chlorinated solvents. Its high chlorine content contributes to its density and chemical stability, while the nitrile functional group influences its reactivity and polarity characteristics.
What is 2,2,2-trichloroacetonitrile used for?
2,2,2-trichloroacetonitrile serves primarily as a chemical intermediate in pharmaceutical and agrochemical synthesis. It is utilized in the production of various organic compounds where the trichloromethyl group needs to be introduced into molecular structures. The compound also finds applications in specialized chemical research and as a building block for creating more complex chlorinated organic molecules in industrial chemical processes.
How to handle 2,2,2-trichloroacetonitrile safely?
2,2,2-trichloroacetonitrile requires strict safety measures due to its Acute Tox. 3 classification. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods to prevent inhalation exposure. Emergency eyewash stations and safety showers should be readily accessible, and all handling procedures must follow established chemical safety protocols.
How to store 2,2,2-trichloroacetonitrile correctly?
2,2,2-trichloroacetonitrile must be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. The compound should be kept in tightly sealed, chemically compatible containers, preferably in a designated hazardous chemical storage area. Storage areas must be equipped with appropriate containment measures and should be separated from incompatible materials such as strong bases and reducing agents to prevent dangerous reactions.
What to do in case of contact with 2,2,2-trichloroacetonitrile?
Immediate action is required upon contact with 2,2,2-trichloroacetonitrile due to its high toxicity. For skin contact, remove contaminated clothing and rinse the affected area with copious amounts of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical assistance.
How to dispose of 2,2,2-trichloroacetonitrile appropriately?
2,2,2-trichloroacetonitrile must be disposed of as hazardous waste through licensed waste disposal companies in accordance with local and EU regulations. The compound cannot be disposed of down drains or in regular waste streams due to its toxicity and environmental impact classification (Aquatic Chronic 2). Proper documentation and waste tracking procedures must be followed, and disposal methods typically involve high-temperature incineration at specialized facilities.
How to transport 2,2,2-trichloroacetonitrile?
2,2,2-trichloroacetonitrile is classified under ADR as Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity requiring stringent transport regulations. Shipments must use UN-approved packaging and be properly labeled with appropriate hazard placards and documentation. Transport vehicles must comply with ADR requirements for toxic substances, and drivers need specialized training for handling dangerous goods of this classification level.
Is 2,2,2-trichloroacetonitrile subject to specific regulations?
2,2,2-trichloroacetonitrile is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. The compound's GHS06 and GHS09 pictograms indicate mandatory hazard communication requirements. While not currently listed as an SVHC substance, it falls under strict handling and reporting requirements due to its acute toxicity classification and must comply with occupational exposure limits and environmental protection standards.
Where to buy 2,2,2-trichloroacetonitrile in Europe?
2,2,2-trichloroacetonitrile is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides this compound with full regulatory compliance documentation and technical support. Due to the substance's classification as Acute Tox. 3 and transport restrictions, purchases require proper handling capabilities and may be subject to customer qualification requirements and regulatory documentation.
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2,2,2-trichloroacetonitrile is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.