ChemicalBook > CAS DataBase List > Trimethylacetonitrile

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
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

Preparation Products

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Trimethylacetonitrile Suppliers

SHANGHAI BANGCHENG CHEMICAL Co.,Ltd.
Tel
021-69106960 13701823733
Fax
021-69106780
Email
13701823733@163.com
Country
China
ProdList
4767
Advantage
60
Founding chemical products Technology Development Co., Ltd.
Tel
+86-0310-6697998 +86-15325567662
Fax
0310-6697696
Email
losartan@crotonic-anhydride.com
Country
China
ProdList
93
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
94657
Advantage
76
PharmaBlock Sciences (Nanjing),Inc.
Tel
025-86918202 4000255188
Fax
86-025-86918232
Email
sales@pharmablock.com
Country
China
ProdList
4986
Advantage
55
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44689
Advantage
61
Shijiazhuang Sdyano Fine Chemical Co., Ltd.
Tel
0311-89250318 031166536426
Fax
4000311741
Email
master@sjzsdyn.com
Country
China
ProdList
2963
Advantage
65
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9413
Advantage
66
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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

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