Trimethylacetonitrile, 98+%

Description

CAS: 630-18-2 | C5H9N | 83.134 g/mol

Trimethylacetonitrile used as a solvent and as a labile ligand in coordination chemistry. It is also used as an intermediate in organic synthesis. It is used in the presence of titanium(II) chloride and zinc to undergoes reductive coupling reaction of aromatic and aliphatic ketones including acyclic aliphatic ketones to give the corresponding pinacols.

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
Trimethylacetonitrile used as a solvent and as a labile ligand in coordination chemistry. It is also used as an intermediate in organic synthesis. It is used in the presence of titanium(II) chloride and zinc to undergoes reductive coupling reaction of aromatic and aliphatic ketones including acyclic aliphatic ketones to give the corresponding pinacols.

Solubility
Miscible with ethanol, acetone and toluene. Slightly miscible with water.

Notes
Store in a cool place. Incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents.

Specifications

Chemical Identifiers

• CAS: 630-18-2
• Molecular Formula: C5H9N
• Molecular Weight (g/mol): 83.134
• MDL Number: MFCD00001847
• InChI Key: JAMNHZBIQDNHMM-UHFFFAOYSA-N
• Synonym: pivalonitrile, trimethylacetonitrile, 2,2-dimethylpropionitrile, tert-butyl cyanide, propanenitrile, 2,2-dimethyl, tert-butylnitrile, 2-cyano-2-methylpropane, trimethyl acetonitrile, tert-cyanobutane, t-bucn
• PubChem CID: 12416
• IUPAC Name: 2,2-dimethylpropanenitrile
• SMILES: CC(C)(C)C#N

• Melting Point: 16°C to 18°C
• Density: 0.757
• Boiling Point: 105°C to 106°C
• Flash Point: 4°C (39°F)
• Odor: Odorless
• Quantity: 100 g
• UN Number: UN3273
• Solubility Information: Miscible with ethanol,acetone and toluene. Slightly miscible with water.
• Formula Weight: 83.13
• Percent Purity: ≥98%
• Chemical Name or Material: Trimethylacetonitrile

Safety and Handling

Hazard Category	H225-H301+H311+H331
Hazard Statement	GHS H Statement H225-H302-H312-H332-H315-H319-H335 Highly flammable liquid and vapor. Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P310-P303+P361+P353-P304+P340-P311-P312-P330-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: NITRILES, FLAMMABLE, TOXIC, N.O.S.
EINECSNumber	211-133-0
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only