CAS 545-06-2

Trichloroacetonitrile

Description:

Trichloroacetonitrile, with the CAS number 545-06-2, is a chemical compound characterized by its three chlorine atoms and a nitrile functional group attached to an acetic acid derivative. It appears as a colorless to pale yellow liquid with a pungent odor. This compound is known for its high volatility and solubility in organic solvents, making it useful in various chemical syntheses and industrial applications. Trichloroacetonitrile is primarily utilized as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. It is important to handle this substance with care, as it can be toxic and poses environmental hazards. Its reactivity is influenced by the presence of the nitrile group, which can participate in nucleophilic addition reactions. Additionally, it is classified as a hazardous material, necessitating appropriate safety measures during storage and use. Overall, trichloroacetonitrile is a significant compound in organic chemistry with various applications, but it requires careful handling due to its toxicological properties.

Formula: C₂Cl₃N

InChI: InChI=1S/C2Cl3N/c3-2(4,5)1-6

InChI key: InChIKey=DRUIESSIVFYOMK-UHFFFAOYSA-N

SMILES: C(C#N)(Cl)(Cl)Cl

Synonyms:

• 2,2,2-Trichloroacetonitrile
• Acetonitrile, 2,2,2-trichloro-
• Cl₃CCN
• Cyanotrichloromethane
• Nsc 66405
• Trichloracetonitril
• Trichloroacetonitrile
• Trichlorocyanomethane
• Trichloroethanenitrile
• Trichloromethyl cyanide
• Tricloroacetonitrilo
• Tritox
• TRICHLORO ACETONITRILE
• Acetonitrile, trichloro-
• Trichloroacetonitrle
• trichloromethylcarbonitrile
• Trichloroacetonitrile,97%
• Trichloromethylnitrile
• TRICHLOROACETONITRILE, 1000MG, NEAT
• trichloro-acetonitril
• Trichlor-acetonitril
• Trichlouracetonitril
• TRIBROMOACETONITRILE
• CCl3CN
• Chlorocyanohydrin
• Trichlroacetonitrile
• Nitrile trichloracetique
• nitriletrichloracetique
• Trichlormethylkyanid

Trichloroacetonitrile

CAS: 545-06-2

Formula: C₂Cl₃N

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 144.38

Ref: 3B-T0372

Trichloroacetonitrile, 98%

CAS: 545-06-2

Trichloroacetonitrile is involved as a reagent in Overman rearrangement, which is used to prepare alylic amines from allylic alcohols. It is also used to prepare bistrichloroacetimidates from diols leading to dihyrooxazines through acid catalyzed cyclization. Further, it is utilized in the synthesis

Formula: C₂Cl₃N

Purity: 98%

Color and Shape: Liquid, Clear colorless

Molecular weight: 144.38

Ref: 02-A10565

Trichloroacetonitrile

CAS: 545-06-2

Purity: 99.0%

Color and Shape: Liquid, Clear Liquid

Molecular weight: 144.3800048828125

Ref: 10-F067661

Trichloroacetonitrile

CAS: 545-06-2

Formula: C₂Cl₃N

Purity: (GC) ≥ 99.0%

Color and Shape: Clear, colourless to light yellow liquid

Molecular weight: 144.39

Ref: 7W-GK3148

Trichloroacetonitrile

CAS: 545-06-2

Trichloroacetonitrile

Formula: C₂Cl₃N

Purity: 99%

Color and Shape: clear. colourless liquid

Molecular weight: 144.3871g/mol

Ref: 54-OR4786

Disinfection By-products Mixture 912 5000 µg/mL in Acetone

Controlled Product

CAS: 3018-12-0, 3252-43-5, 513-88-2, 545-06-2, 76-06-2, 83463-62-1, 918-00-3

Formula: C₃H₃Cl₃O

Color and Shape: Mixture

Molecular weight: 161.41

Ref: 04-GA09000912AC

Trichloroacetonitrile

Controlled Product

CAS: 545-06-2

Formula: C₂Cl₃N

Color and Shape: Neat

Molecular weight: 144.39

Ref: 04-CA17688000

Chlorinated Organic and Desinfectant by-products Mix 1 100 µg/mL in Acetone

Controlled Product

CAS: 106-93-4, 124-48-1, 127-18-4, 3018-12-0, 3252-43-5, 513-88-2, 545-06-2, 56-23-5, 67-66-3, 71-55-6, 75-25-2, 75-27-4, 76-06-2, 79-01-6, 83463-62-1, 96-12-8

Formula: C₂H₃Cl₃

Color and Shape: Mixture

Molecular weight: 133.40

Ref: 04-XA05510100AC

Trichloroacetonitrile

Controlled Product

CAS: 545-06-2

Stability Light Sensitive, Volatile
Applications Trichloroacetonitrile is a by-product of the chlorine disinfection of water and is commonly used as a fumigant. It is also used as a direct alkylating agent and reacts with primary and secondary aliphatic amines to produce N-substituted trichloroacetamidines.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Christ, S.: J. Toxicol. Env. Health A, 47, 233 (1996); Davies, M. & Jenkin, D.: J. Chem. Soc., No vol. given, 2374 (1954); Grivas, J. & Taurins, A.: J. Chem., 36, 771 (1958)

Formula: C₂Cl₃N

Color and Shape: Neat

Molecular weight: 144.39

Ref: TR-T773900