Pivalonitril

Bezeichnung:Pivalonitril

CAS-Nr630-18-2

Englisch Name:Trimethylacetonitrile

CBNumberCB9285121

SummenformelC5H9N

Molgewicht83.13

MOL-Datei630-18-2.mol

Synonyma

Pivalonitril

Pivalonitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	15-16 °C (lit.)
Siedepunkt	105-106 °C (lit.)
Dichte	0.752 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.377(lit.)
Flammpunkt	40 °F
storage temp.	Sealed in dry,Room Temperature
Aggregatzustand	Liquid
Farbe	Clear colorless
Wasserlöslichkeit	Miscible with ethanol, acetone and toluene. Slightly miscible with water.
BRN	1361449
Expositionsgrenzwerte	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 Datenbank	630-18-2(CAS DataBase Reference)
EPA chemische Informationen	Propanenitrile, 2,2-dimethyl- (630-18-2)

Sicherheit

Kennzeichnung gefährlicher	F,T,Xi
R-Sätze:	11-23/24/25-36
S-Sätze:	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

Gefahreninformationscode (GHS)

Trimethylacetonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R11:Leichtentzündlich.
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R36:Reizt die Augen.
S-Sätze Betriebsanweisung:
S16:Von Zündquellen fernhalten - Nicht rauchen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S7/9:Behälter dicht geschlossen an einem gut gelüfteten Ort aufbewahren.
Beschreibung
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.
Chemische Eigenschaften
CLEAR COLOURLESS LIQUID
Verwenden
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].
läuterung methode
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.]
Einzelnachweise
[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 Upstream-Materialien And Downstream Produkte

Pivalonitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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