Chloroacetonitrile, 98+%, Thermo Scientific Chemicals

Description

Chloroacetonitrile is used in the electrochemical synthesis of cyanoacetic acid with carbon dioxide. It is involved in phase-transfer-catalyzed Darzen's condensation reaction with cyclohexanone. It is also used as an eluent additive in thermospray liquid chromatography/mass spectrometry. Further, it is used to prepare polysubstituted pyrido[1,2-a]benzimidazole by reacting with other reactant such as malononitrile, aromatic aldehyde and pyridine.

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
Chloroacetonitrile is used in the electrochemical synthesis of cyanoacetic acid with carbon dioxide. It is involved in phase-transfer-catalyzed Darzen′s condensation reaction with cyclohexanone. It is also used as an eluent additive in thermospray liquid chromatography/mass spectrometry. Further, it is used to prepare polysubstituted pyrido[1,2-a]benzimidazole by reacting with other reactant such as malononitrile, aromatic aldehyde and pyridine.

Solubility
Immiscible with water.

Notes
Incompatible with strong oxidizing agents and acids.

Specifications

Chemical Identifiers

• CAS: 107-14-2
• Molecular Formula: C2H2ClN
• Molecular Weight (g/mol): 75.495
• MDL Number: MFCD00001885
• InChI Key: RENMDAKOXSCIGH-UHFFFAOYSA-N
• Synonym: chloroacetonitrile, chloracetonitrile, acetonitrile, chloro, chloromethyl cyanide, monochloroacetonitrile, chloroethanenitrile, monochloromethyl cyanide, usaf kf-5, alpha-chloroacetonitrile, acetonitrile, 2-chloro
• PubChem CID: 7856
• ChEBI: CHEBI:82416
• IUPAC Name: 2-chloroacetonitrile
• SMILES: C(C#N)Cl

• Density: 1.195
• Boiling Point: 124°C to 126°C
• Flash Point: 56°C (132°F)
• Refractive Index: 1.423
• Linear Formula: ClCH₂CN
• Quantity: 1 kg
• UN Number: UN2668
• Beilstein: 506028
• Solubility Information: Immiscible with water.
• Formula Weight: 75.5
• Percent Purity: ≥98%
• Chemical Name or Material: Chloroacetonitrile

Safety and Handling

Hazard Category	H226-H301+H331-H310-H319
Hazard Statement	GHS H Statement H301-H311-H331-H226 Toxic if swallowed. Toxic in contact with skin. Toxic if inhaled. Flammable liquid and vapour.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P262-P264b-P270-P271-P280-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P310-P311-P330-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: I; Proper Shipping Name: CHLOROACETONITRILE
EINECSNumber	203-467-0
RTECSNumber	AL8225000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only