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Trimethylacetonitrile

CAS 630-18-2(CH3)3CCNChemical Synthesis

Trimethylacetonitrile (CAS: 630-18-2) is a clear, colourless liquid with the linear formula (CH3)3CCN and a molecular weight of 83.13 g/mol. This organic nitrile compound serves as a versatile building block in chemical synthesis. It is primarily utilised in the creation of more complex organic molecules, particularly within the C1 to C5 carbon chain range. Its properties make it a useful reagent in various organic reactions.

IUPAC
tert-Butyl cyanide,Pivalonitrile
Synonyms
Pivalonitriletert-Butyl cyanide
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Trimethylacetonitrile ((CH3)3CCN) — chemical structure, CAS 630-18-2; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC1 to C5Chemical SynthesisCyanides/NitrilesNitrogen Compounds
01 /Applications

Organic Synthesis Intermediate

Trimethylacetonitrile functions as a key intermediate in the synthesis of diverse organic compounds. Its nitrile group can participate in various transformations, leading to the formation of amines, amides, and other nitrogen-containing functionalities.

Building Block for Heterocycles

The compound is employed in the construction of heterocyclic ring systems. Its structure allows for incorporation into complex molecular frameworks relevant to pharmaceuticals and agrochemicals.

Precursor for Specialty Chemicals

It serves as a precursor for the development of specialty chemicals. The tert-butyl group imparts unique steric properties, influencing reactivity and product characteristics.

02 /Properties
Molecular weight83.13
Linear formula(CH3)3CCN
Assay98%
Boiling point105-106 °C(lit.)
Density0.752 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.377(lit.)
Melting point15-16 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Toxic (GHS06)
Toxic
Danger

Hazard statements

  • H225Highly flammable liquid and vapour
  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H331Toxic if inhaled

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P301IF SWALLOWED
  • P311Call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point4 °C / 39.2 °F
Transport (UN / ADR)UN 1993BF 3 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,T
Risk statements (R)11-23/24/25
Safety statements (S)16-36/37/39-45

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
630-18-2
MDL number
MFCD00001847
PubChem substance
24900438
Beilstein registry
1361449
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Trimethylacetonitrile used for?

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Trimethylacetonitrile is primarily used as a building block and intermediate in organic synthesis, particularly for creating complex organic molecules and heterocyclic compounds.

What is the CAS number and formula for Trimethylacetonitrile?

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The CAS number for Trimethylacetonitrile is 630-18-2, and its linear formula is (CH3)3CCN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Trimethylacetonitrile with a minimum assay of 98%. We do not represent this product as USP, BP, or EP grade.

What are the primary hazards associated with Trimethylacetonitrile?

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Trimethylacetonitrile is a flammable liquid and vapour (H225). It is acutely toxic if swallowed, in contact with skin, or if inhaled (H301, H311, H331). Handle with extreme caution, using appropriate personal protective equipment, including full-face respirators and chemical-resistant gloves, in a well-ventilated area.

How is Trimethylacetonitrile packed and shipped?

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Trimethylacetonitrile is carefully packed in accordance with international shipping regulations and is exported globally by TSS.

How can I request a quote or sample of Trimethylacetonitrile?

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To request a quote or sample of Trimethylacetonitrile, please contact our sales team through the website or by phone.

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