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Trimethylacetonitrile, 98+%

Product Code. 11429862
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Product Code. 11429862 Supplier Thermo Scientific Alfa Aesar Supplier No. A12011.22
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Estimated Shipment: 29-07-2026
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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.
TRUSTED_SUSTAINABILITY

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

Specifications

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
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Safety and Handling

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Product Identifier
  • Trimethylacetonitrile
 Signal Word
  • Danger
 Hazard Category
  • Acute toxicity Category 3
  • Flammable liquid Category 2
 Hazard Statement
  • H225-Highly flammable liquid and vapour.
  • H301-Toxic if swallowed.
  • H311-Toxic in contact with skin.
  • H331-Toxic if inhaled.
 Precautionary Statement
  • P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • 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.
 Supplemental information
  • MIXTURE LIST-Contain: 2,2-dimethyl-Propanenitrile

RUO – Research Use Only

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