Valeronitril

Bezeichnung:Valeronitril

CAS-Nr110-59-8

Englisch Name:Valeronitrile

CBNumberCB2250133

SummenformelC5H9N

Molgewicht83.13

MOL-Datei110-59-8.mol

Synonyma

Valeronitril

Valeronitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	−96 °C(lit.)
Siedepunkt	139-141 °C(lit.)
Dichte	0.795 g/mL at 25 °C(lit.)
Dampfdruck	7.0 hPa (20 °C)
Brechungsindex	n20/D 1.397(lit.)
Flammpunkt	105 °F
storage temp.	Store below +30°C.
Löslichkeit	10.0g/l
Aggregatzustand	Liquid
Farbe	Clear colorless
Wasserlöslichkeit	0.1-0.5 g/100 mL at 22.5 ºC
Merck	14,9905
BRN	1736706
Expositionsgrenzwerte	NIOSH: IDLH 25 mg/m3
Dielectric constant	17.4（21℃）
Stabilität	Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. Flammable.
InChIKey	RFFFKMOABOFIDF-UHFFFAOYSA-N
LogP	1.120
CAS Datenbank	110-59-8(CAS DataBase Reference)
NIST chemische Informationen	Pentanenitrile(110-59-8)
EPA chemische Informationen	Valeronitrile (110-59-8)

Sicherheit

Kennzeichnung gefährlicher	T
R-Sätze:	10-25-2017/10/25
S-Sätze:	36/37/39-45-16
RIDADR	UN 1992 3/PG 3
WGK Germany	3
RTECS-Nr.	YV8195000
Selbstentzündungstemperatur	520 °C
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29269095
HS Code	29332100
Toxizität	LD50 orally in male mice: 2.297 mmol/kg (Tanii)

Gefahreninformationscode (GHS)

Valeronitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R10:Entzündlich.
R25:Giftig beim Verschlucken.
S-Sätze Betriebsanweisung:
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).
S16:Von Zündquellen fernhalten - Nicht rauchen.
Chemische Eigenschaften
Clear liquid
Verwenden
Valeronitrile is used as building block in organic synthesis. Product Data Sheet
Verwenden
Solvent.
Verwenden
Valeronitrile is used in the preparation of valeric acid. It is also used to enhance the nitrilase activity in many strains.
Vorbereitung Methode
Valeronitrile can be synthesized by dehydration of valeronamide. The nitrile is also found in nature and is a constituent of coal gasification and oil shale processing waste water, sewage wastewater and tobacco smoke.
Definition
ChEBI: Pentanenitrile is a nitrile.
Allgemeine Beschreibung
Clear colorless to yellow liquid.
Air & Water Reaktionen
Slightly soluble in water.
Reaktivität anzeigen
Nitriles, such as Valeronitrile, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids. Valeronitrile is incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents. .
Health Hazard
Valeronitrile is an irritant and may be harmful by inhalation, ingestion or skin absorption .
Brandgefahr
Valeronitrile is combustible.
Industrielle Verwendung
Valeronitrile is used as an industrial solvent and as a chemical intermediate.
Toxikologie
Pentanenitrile is toxic to animals, and produces its action by the liberation of cyanide by cytochrome P450. The cyanide is detoxified and excreted in urine as thiocyanate.
Stoffwechsel
As with other aliphatic nitriles, valeronitrile is metabolized in vivo resulting in the liberation of cyanide ion which is responsible for much of the observed toxicity of this compound . Biotransformation of valeronitrile presumably proceeds in a manner similar to that of other aliphatic nitriles with an initial cytochrome P-450 catalyzed oxidation of the nitrile to the cyanohydrin followed by release of the cyanide group from the activated molecule. Cyanide formation was significantly reduced when valeronitrile was incubated with mouse hepatic microsomes in the presence of SKF-525A or carbon monoxide or when microsomes from mice pretreated with chloroform were used . Ethanol pretreatment of mice markedly increases the in vivo and in vitro microsomal oxidation of valeronitrile presumably as a result of increased levels of an ethanol inducible cytochrome P-450 . As with other nitriles, the cyanide released upon biotransformation of valeronitrile is readily converted to thiocyanate in vivo and the latter ion was the major urinary excretion product observed with valero-nitrile in rats . From 18 to 31% of a daily 175 mg/kg dose of valeronitrile was eliminated in the urine as thiocyanate during a 24 h period. In another study , 43.2 and 27.5%, respectively, of an oral or i.p. dose of 0.75 mmol/kg valeronitrile was excreted as thiocyanate in the urine of male Sprague-Dawley rats over a 24 h period.
läuterung methode
Wash the nitrile with half its volume of conc HCl (twice), then with saturated aqueous NaHCO3, dry it with MgSO4 and fractionally distil it from P2O5. [Beilstein 2 H 301, 2 I 131, 2 II 267, 2 III 675, 2 IV 875.]
Structure and conformation
The valeronitrile molecule is flexible and can adopt a number of different conformers, so that it will naturally be a mixture. These conformers are called anti-anti (30%), anti-gauche (46%), gauche-anti, gauche-gauche-cis, and gauche-gauche-trans.

Valeronitrile Upstream-Materialien And Downstream Produkte

Valeronitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

110-59-8, Valeronitrile Verwandte Suche:

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