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
- Molecular Weight:
- 83.13
- MOL File:
- 630-18-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/4/1 18:07:32
| Melting point | 15-16 °C (lit.) |
|---|---|
| Boiling point | 105-106 °C (lit.) |
| Density | 0.752 g/mL at 25 °C (lit.) |
| refractive index |
n |
| 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
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H225-H301+H311+H331 | |||||||||
| Precautionary statements | P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
Trimethylacetonitrile price More Price(9)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | T72001 | Trimethylacetonitrile 98% | 630-18-2 | 25G | ₹4167.63 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T72001 | Trimethylacetonitrile 98% | 630-18-2 | 100G | ₹12275.55 | 2022-06-14 | Buy |
| TCI Chemicals (India) | P0463 | Pivalonitrile min. 98.0 % | 630-18-2 | 25ML | ₹4200 | 2022-05-26 | Buy |
| TCI Chemicals (India) | P0463 | Pivalonitrile min. 98.0 % | 630-18-2 | 100ML | ₹8100 | 2022-05-26 | Buy |
| ALFA India | ALF-A12011-22 | Trimethylacetonitrile, 98+% | 630-18-2 | 100g | ₹11132 | 2022-05-26 | Buy |
Trimethylacetonitrile Chemical Properties,Uses,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
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chevron_rightPreparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Stereokem Pvt Ltd | +91-4029706929 +91-9394224843 | Telangana, India | 350 | 58 | Inquiry |
| Jyoti Chemical Centre | 09594652522 | Mumbai, India | 215 | 58 | Inquiry |
| P C Chem | +91-8046061281 | Mumbai, India | 676 | 58 | Inquiry |
| Central Drug House(P) Ltd. | 91-11-49404040 | New Delhi, India | 6160 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| Handan Huajun chemicals Co.,Ltd | +86-0310-8166573 +8618630058311 | China | 29 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | China | 29798 | 60 | Inquiry |
| Supplier | Advantage |
|---|---|
| Stereokem Pvt Ltd | 58 |
| Jyoti Chemical Centre | 58 |
| P C Chem | 58 |
| Central Drug House(P) Ltd. | 58 |
| A.J Chemicals | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| Handan Huajun chemicals Co.,Ltd | 58 |
| Capot Chemical Co.,Ltd. | 60 |
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