Trimethylacetonitrile
- Product Name
- Trimethylacetonitrile
- CAS No.
- 630-18-2
- Chemical Name
- Trimethylacetonitrile
- Synonyms
- (CH3)3C-CN;Pivalonitril;PIVALONITRILE;Pivalic nitrile;Pivalonitrile>tert.-Butylcyanid;tert-Butylnitrile;TERT-BUTYL CYANIDE;Pivalinsαurenitril;Trimethylacetonitril
- CBNumber
- CB9285121
- Molecular Formula
- C5H9N
- Formula Weight
- 83.13
- MOL File
- 630-18-2.mol
Trimethylacetonitrile Property
- Melting point:
- 15-16 °C (lit.)
- Boiling point:
- 105-106 °C (lit.)
- Density
- 0.752 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.377(lit.)
- Flash point:
- 40 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Miscible with ethanol, acetone and toluene. Slightly miscible with water.
- BRN
- 1361449
- Exposure limits
- NIOSH: IDLH 25 mg/m3
- Dielectric constant
- 20.09
- InChI
- InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
- InChIKey
- JAMNHZBIQDNHMM-UHFFFAOYSA-N
- SMILES
- C(#N)C(C)(C)C
- CAS DataBase Reference
- 630-18-2(CAS DataBase Reference)
- EPA Substance Registry System
- Propanenitrile, 2,2-dimethyl- (630-18-2)
Safety
- Hazard Codes
- F,T,Xi
- Risk Statements
- 11-23/24/25-36
- Safety Statements
- 16-36/37/39-45-26-7/9
- RIDADR
- UN 1993 3/PG 2
- WGK Germany
- 3
- F
- 19
- Hazard Note
- Irritant
- TSCA
- Yes
- HazardClass
- 3
- PackingGroup
- II
- HS Code
- 29269090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H225Highly Flammable liquid and vapour
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
N-Bromosuccinimide Price
- Product number
- T72001
- Product name
- Trimethylacetonitrile
- Purity
- 98%
- Packaging
- 25g
- Price
- $106
- Updated
- 2024/03/01
- Product number
- T72001
- Product name
- Trimethylacetonitrile
- Purity
- 98%
- Packaging
- 100g
- Price
- $182
- Updated
- 2024/03/01
- Product number
- P0463
- Product name
- Pivalonitrile
- Purity
- >98.0%(GC)
- Packaging
- 25mL
- Price
- $59
- Updated
- 2024/03/01
- Product number
- P0463
- Product name
- Pivalonitrile
- Purity
- >98.0%(GC)
- Packaging
- 100mL
- Price
- $161
- Updated
- 2024/03/01
- Product number
- A12011
- Product name
- Trimethylacetonitrile, 98+%
- Packaging
- 25g
- Price
- $82.5
- Updated
- 2024/03/01
Trimethylacetonitrile Chemical Properties,Usage,Production
Description
Trimethylacetonitrile is a colorless and transparent liquid with high polarity and solubility. Its dielectric constant varies with temperature and frequency. At room temperature, the dielectric constant of trimethylacetonitrile is approximately 37.5, which gradually decreases at high temperatures. The high dielectric constant of trimethylacetonitrile makes it widely used in the field of electrochemistry. For example, in electrochemical reactions, trimethylacetonitrile can be used as a solvent and electrolyte to improve the efficiency and rate of the reaction. At the same time, trimethylacetonitrile can also be used as a dielectric for capacitors, to store charge and energy.
Chemical Properties
CLEAR COLOURLESS LIQUID
Uses
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.
Application
Trimethylacetonitrile can be used:
As an intermediate compound, it is a product of benzopyrimidine in the preparation of 6-substituted phenanthridines[1].
As a laboratory research material for the thermodynamic correlation index determination of chemistry, spectroscopic determination and reduction reaction studies with Grignard reagents[2-4].
Purification Methods
Purify it by a two-stage vacuum distillation and de-gas by the freeze-pump-thaw technique. Store it under vacuum at 0o. TOXIC, use an efficient fume hood. [Beilstein 2 IV 875.]
References
[1] JAN PAWLAS; Mikael B. A One-Pot Access to 6-Substituted Phenanthridines from Fluoroarenes and Nitriles via 1,2-Arynes[J]. Organic Letters, 2002. DOI:10.1021/ol026197c.
[2] T. MOHAMED. Computational (DFT and MP2) and spectral interpretations, normal coordinate analysis, force constants and barriers to internal rotations of Trimethylacetonitrile[J]. Journal of Theoretical & Computational Chemistry, 2016. DOI:10.1142/S0219633616500346.
[3] EDGAR F. WESTRUM JR. Aaron R. Trimethylacetonitrile. Low-temperature heat capacity, vapor pressure, and chemical thermodynamics of the crystalline, liquid, and gaseous phases[J]. The Journal of Physical Chemistry , 1967. DOI:10.1021/j100864a006.
[4] HARRY S. MOSHER; William T M. The Reduction of Trimethylacetonitrile with Grignard Reagents1[J]. Journal of the American Chemical Society, 1951. DOI:10.1021/ja01152a114.
Trimethylacetonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Trimethylacetonitrile manufacturers
- Product
- TRIMETHYLACETONITRILE 630-18-2
- Price
- US $7.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2018-12-21