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

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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)

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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

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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.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: T72001
Product name: Trimethylacetonitrile
Purity: 98%
Packaging: 25g
Price: $106
Updated: 2024/03/01

Sigma-Aldrich

Product number: T72001
Product name: Trimethylacetonitrile
Purity: 98%
Packaging: 100g
Price: $182
Updated: 2024/03/01

TCI Chemical

Product number: P0463
Product name: Pivalonitrile
Purity: >98.0%(GC)
Packaging: 25mL
Price: $59
Updated: 2024/03/01

TCI Chemical

Product number: P0463
Product name: Pivalonitrile
Purity: >98.0%(GC)
Packaging: 100mL
Price: $161
Updated: 2024/03/01

Alfa Aesar

Product number: A12011
Product name: Trimethylacetonitrile, 98+%
Packaging: 25g
Price: $82.5
Updated: 2024/03/01

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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

Ammonium hydroxide Ethanol Acetone Pivaloyl chloride Sodium hydroxide Hydroxylamine hydrochloride Phosphorus pentoxide

Preparation Products

Pivalic acid

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View Lastest Price from Trimethylacetonitrile manufacturers

Career Henan Chemical Co

Product: TRIMETHYLACETONITRILE 630-18-2
Price: US $7.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2018-12-21

630-18-2, TrimethylacetonitrileRelated Search:

TETRAMETHYLSUCCINONITRILE Pivaldehyde Pivalic acid 1-(4-Methylphenyl)-1-cyclopropanecarbonitrile ETHYL 1-CYANOCYCLOPROPANECARBOXYLATE DIPHENOXYLATE HYDROCHLORIDE (+/-)-Verapamil hydrochloride 4-CYANO-4-PHENYLCYCLOHEXANONE 1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE 1-Phenylcyclobutanecarbonitrile ETHYL 2-CYANO-2-ETHYL BUTYRATE 4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE 1-Phenyl-1-cyclohexanecarbonitrile 2,2-Diphenylpropionitrile 4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE Trimethylacetonitrile 1-Phenyl-1-cyclopentanecarbonitrile 1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE

2,2-DIMETHYL-PROPANENITRILE

2,2-DIMETHYLPROPIONITRILE

PIVALONITRILE

TERT-BUTYL CYANIDE

TRIMETHYLACETONITRILE

(CH3)3C-CN

2,2-dimethyl-propanenitril

2,2-Dimethylpropionsαurenitril

2-Cyano-2-methylpropane

Trimethylacetonitrile, 2,2-Dimethylpropionitrile, Pivalonitrile

TriMethylacetonitrile, 98% 25ML

2,2-Dimethylpropiononitrile

2,2-Dimethylpropionitrile Trimethylacetonitrile

Pivalic nitrile

Pivalinsαurenitril

Pivalonitril

propanenitrile,2,2-dimethyl-

tert.-Butylcyanid

tert-Butylnitrile

Trimethylacetonitril

tert-Butyl cyanide~Pivalonitrile

Trimethylacetonitrile,98+%

Trimethyl acetaldehyde/pivalaldehyde

Pivalonitrile&gt

Tertiary butyl carbonyl cyanide

High purity Trimethylacetonitrile

Perfemiker]Trimethylacetonitrile,97%

630-18-2

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