Trichloroacetonitrile, 98%

Product Code. 11463214

Brand: Thermo Scientific Alfa Aesar A10565.30

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.

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%
• Linear Formula: ₃CCN
• Refractive Index: 1.441
• 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

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