Trichloroacetonitrile, 98%, Thermo Scientific Chemicals

Description

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.

Specifications

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

• Melting Point: °C to 44°C
• Density: 1.44 g/mL
• Boiling Point: 85°C to 86°C
• Assay Percent Range: 98%
• Refractive Index: 1.441
• Linear Formula: ₃CCN
• Quantity: 250 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

Safety and Handling

Hazard Category	H301+H311+H331
Hazard Statement	GHS H Statement H301-H311-H331
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
EINECSNumber	208-885-7
RTECSNumber	AM2450000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only