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-
- Cl<sub>3</sub>CCN
- 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
- See more synonyms
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Trichloroacetonitrile
CAS:Formula:C2Cl3NPurity:>98.0%(GC)Color and Shape:Colorless to Almost colorless clear liquidMolecular weight:144.38Trichloroacetonitrile, 98%
CAS: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 synthesisFormula:C2Cl3NPurity:98%Color and Shape:Liquid, Clear colorlessMolecular weight:144.38Trichloroacetonitrile
CAS:TrichloroacetonitrileFormula:C2Cl3NPurity:99%Color and Shape:Pale brown LiquidMolecular weight:144.3871Trichloroacetonitrile
CAS:Formula:C2Cl3NPurity:(GC) ≥ 99.0%Color and Shape:Clear, colourless to light yellow liquidMolecular weight:144.39Trichloroacetonitrile
CAS:Controlled ProductFormula:C2Cl3NColor and Shape:NeatMolecular weight:144.39Disinfection By-products Mixture 912 5000 µg/mL in Acetone
CAS:Controlled ProductFormula:C3H3Cl3OColor and Shape:MixtureMolecular weight:161.41Trichloroacetonitrile
CAS:Controlled ProductStability 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:C2Cl3NColor and Shape:NeatMolecular weight:144.39
