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  6. Trichloroacetonitrile, 98%

Trichloroacetonitrile, 98%

Product Code. 11453214
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Product Code. 11453214 Supplier Thermo Scientific Alfa Aesar Supplier No. A10565.18
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Description

CAS: 545-06-2 | C2Cl3N | 144.379 g/mol

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 of trichloroacetimidates by 1,8-Diazobicyclo[5.4.0]undec-7-ene (DBU) catalyzed addition of allylic alcohols. It finds application in the study of the methoxy methyl (MOM) catalyzed aza-Claisen rearrangement.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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 of trichloroacetimidates by 1,8-Diazobicyclo[5.4.0]undec-7-ene (DBU) catalyzed addition of allylic alcohols. It finds application in the study of the methoxy methyl (MOM) catalyzed aza-Claisen rearrangement.

Solubility
Miscible with most organic solvents. Immiscible with water.

Notes
Incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 545-06-2
Molecular Formula C2Cl3N
Molecular Weight (g/mol) 144.379
MDL Number MFCD00001842
InChI Key DRUIESSIVFYOMK-UHFFFAOYSA-N
Synonym trichloroacetonitrile, acetonitrile, trichloro, tritox, cyanotrichloromethane, trichloromethyl cyanide, trichloroethanenitrile, trichlouracetonitril, trichlor-acetonitrile, trichloromethylnitrile, nitrile trichloracetique
PubChem CID 11011
ChEBI CHEBI:82541
IUPAC Name 2,2,2-trichloroacetonitrile
SMILES C(#N)C(Cl)(Cl)Cl

Specifications

Melting Point -44°C
Density 1.44
Boiling Point 85°C to 86°C
Assay Percent Range 98%
Linear Formula Cl3CCN
Refractive Index 1.441
Quantity 50 g
UN Number UN3276
Beilstein 605572
Merck Index 14,9628
Solubility Information Miscible with most organic solvents. Immiscible with water.
Formula Weight 144.39
Percent Purity 98%
Chemical Name or Material Trichloroacetonitrile
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Safety and Handling

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Product Identifier
  • Trichloroacetonitrile
 Signal Word
  • Danger
 Hazard Category
  • Acute toxicity Category 3
  • LONG-TERM AQUATIC HAZARD Chronic 2
 Hazard Statement
  • H301-Toxic if swallowed.
  • H311-Toxic in contact with skin.
  • H331-Toxic if inhaled.
  • H411-Toxic to aquatic life with long lasting effects.
 Precautionary Statement
  • P273-Avoid release to the environment.
  • P280-Wear protective gloves/protective clothing/eye protection/face protection.
  • P301+P310-IF SWALLOWED: Immediately call a POISON CENTER/doctor /
  • P302+P352-IF ON SKIN: Wash with plenty of water/soap.
  • P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
  • P312-Call a POISON CENTER/doctor/if you feel unwell.
 Supplemental information
  • MIXTURE LIST-Contains : Trichloroacetonitrile
SDS

RUO – Research Use Only

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