2,2,2-trichloroacetonitrile

C2Cl3N

CAS545-06-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 2,2,2-trichloroacetonitrile

Our experts support you with application, dosage, and compliance.

Request Consultation

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 a halogenated nitrile compound with high toxicity and antimicrobial properties. This organochlorine compound, with molecular formula C2Cl3N and molecular weight 144.38 g/mol, represents a significant chemical intermediate in various industrial processes. The compound belongs to the family of halogenated acetonitriles, sharing structural similarities with 2-chloroacetonitrile but featuring three chlorine atoms attached to the methyl carbon, which substantially enhances its reactivity and biological activity. The substance exhibits notable acute toxicity across multiple exposure routes, classified under GHS hazard class Acute Tox. 3, necessitating careful handling protocols and appropriate personal protective equipment. Its environmental profile indicates aquatic chronic toxicity (Category 2), requiring controlled discharge and waste management procedures. The compound is transported under ADR class 6.1, reflecting its toxic nature and the need for specialized logistics considerations. From a chemical perspective, 2,2,2-trichloroacetonitrile demonstrates strong electrophilic properties due to the electron-withdrawing effect of the three chlorine atoms, making it valuable in synthetic organic chemistry. The nitrile functional group provides versatility for further chemical transformations, while the trichloromethyl moiety imparts unique reactivity patterns distinct from simpler chlorinated compounds. Primary industrial applications include its use as a chemical intermediate in pharmaceutical synthesis, particularly in the production of specialized drug compounds requiring halogenated building blocks. The compound also serves in agrochemical manufacturing and as a reagent in organic synthesis for introducing trichloromethyl groups into target molecules. Additionally, it finds application in specialized antimicrobial formulations where its biocidal properties are advantageous. OYSI provides 2,2,2-trichloroacetonitrile to European industrial customers with comprehensive technical support and regulatory documentation.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H411

Toxic to aquatic life with long lasting effects.

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

Toxic

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

Toxic

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

Toxic

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 Number3382
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameTrichloracetonitril
Marine PollutantNo

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 substance has a molecular weight of 144.38 g/mol and belongs to the nitrile family. It is classified as a highly toxic substance with acute toxicity properties and environmental hazards. The compound is characterized by three chlorine atoms attached to the carbon adjacent to the nitrile group, making it a trichlorinated derivative of acetonitrile.

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 pungent odor. The compound has a molecular weight of 144.38 g/mol and contains three highly electronegative chlorine atoms, which significantly influence its chemical behavior. Due to its nitrile functional group and chlorinated structure, it exhibits moderate polarity and can interact with various solvents. The presence of multiple chlorine atoms affects its volatility and stability under different conditions.

What is 2,2,2-trichloroacetonitrile used for?

2,2,2-trichloroacetonitrile is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a building block for the production of various chemical compounds, including pesticides, herbicides, and specialty chemicals. The compound is also utilized in research applications and as a reagent in organic chemistry reactions. Its unique structure makes it valuable for introducing trichloromethyl groups into target molecules during synthetic processes in industrial and laboratory settings.

How to handle 2,2,2-trichloroacetonitrile safely?

2,2,2-trichloroacetonitrile must be handled with extreme caution due to its Acute Tox. 3 classification and 'Danger' signal word. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when adequate ventilation is not available. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Use appropriate tools to prevent direct contact and ensure emergency procedures are readily accessible before handling this toxic substance.

How to store 2,2,2-trichloroacetonitrile correctly?

2,2,2-trichloroacetonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. The storage area must be secure and accessible only to trained personnel due to its high toxicity classification. Containers should be made of compatible materials and properly labeled with GHS06 and GHS09 pictograms. Keep away from incompatible substances and ensure appropriate spill containment measures are in place.

What to do in case of contact with 2,2,2-trichloroacetonitrile?

Immediate medical attention is required for any contact with 2,2,2-trichloroacetonitrile due to its high acute toxicity. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move person to fresh air immediately. In case of eye contact, flush with water for at least 15 minutes. Never induce vomiting if ingested. Contact emergency services and poison control center immediately, providing the safety data sheet to medical personnel.

How to dispose of 2,2,2-trichloroacetonitrile appropriately?

2,2,2-trichloroacetonitrile must be disposed of as hazardous waste through licensed waste management companies specializing in toxic chemical disposal. The substance cannot be disposed of in regular waste streams due to its high toxicity and environmental hazard classification (Aquatic Chronic 2). Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Container residues require the same careful disposal treatment as the pure substance.

How to transport 2,2,2-trichloroacetonitrile?

2,2,2-trichloroacetonitrile is classified under ADR Class 6.1 (Toxic substances) Packing Group I, indicating maximum danger level for toxic materials. Transportation requires specialized hazardous goods packaging, proper labeling with toxic substance markings, and compliance with dangerous goods regulations. Only certified carriers with appropriate permits can transport this substance. Shipping documentation must include proper shipping names, hazard classes, and emergency response information according to international dangerous goods transport regulations.

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 as Acute Tox. 3 with multiple exposure routes. While not currently listed as an SVHC substance, its high toxicity profile subjects it to strict handling and workplace safety regulations. Companies must comply with occupational exposure limits, safety data sheet requirements, and notification procedures. Import, use, and distribution require adherence to chemical safety regulations and potential authorization procedures.

Where to buy 2,2,2-trichloroacetonitrile in Europe?

2,2,2-trichloroacetonitrile is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous substance supply chains. OYSI provides comprehensive regulatory support, proper packaging, and safety documentation required for this highly toxic substance. As a professional chemical distributor, OYSI ensures compliance with EU regulations and provides technical support for safe handling and application. Contact OYSI directly for availability, specifications, and regulatory guidance for your specific requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.