3-Phenylpropiononitril

Bezeichnung:3-Phenylpropiononitril

CAS-Nr645-59-0

Englisch Name:3-PHENYLPROPIONITRILE

CBNumberCB1733015

SummenformelC9H9N

Molgewicht131.17

MOL-Datei645-59-0.mol

Synonyma

3-Phenylpropiononitril

3-Phenylpropiononitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	−2-−1 °C(lit.)
Siedepunkt	113 °C9 mm Hg(lit.)
Dichte	1.001 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.521(lit.)
Flammpunkt	>230 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	1.68g/l (calculated)
Aggregatzustand	Liquid
Wichte	1
Farbe	Clear colorless to light yellow
Geruch (Odor)	powerful nasturtium
BRN	636348
Expositionsgrenzwerte	NIOSH: IDLH 25 mg/m3
CAS Datenbank	645-59-0(CAS DataBase Reference)
EPA chemische Informationen	Benzenepropanenitrile (645-59-0)

Sicherheit

Kennzeichnung gefährlicher	T,C
R-Sätze:	23/24/25-36-34
S-Sätze:	36/37/39-45-27-26
RIDADR	UN 3276 6.1/PG 3
WGK Germany	3
RTECS-Nr.	MW5604750
TSCA	Yes
HazardClass	6.1
PackingGroup	II
HS Code	29269095

Gefahreninformationscode (GHS)

3-PHENYLPROPIONITRILE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R36:Reizt die Augen.
R34:Verursacht Verätzungen.
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).
S27:Beschmutzte, getränkte Kleidung sofort ausziehen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
clear colorless to light yellow liquid
Verwenden
3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1.
Verwenden
A glucosinolate enzymic hydrolosis product with potential antibacterial activities against plant pathogenic bacteria. 3-Phenylpropionitrile is occasionally used in perfume compositions, mainly as a minor ingredient in artificial flower absolutes, etc. The material can also be used in certain types of exotic or very heavy floral fragrance, e. g. Stephanotis, Pikake, Keora, Ginger Lily, Tiare, Coffee flower, etc. Its warm and piquant, vegetable pungency is utilized in flavor compositions for seasonings, etc. and in various spice blends. Normal use concentration is equivalent to about 1 to 3 ppm in the finished product.
synthetische
To a stirred solution of 3-phenylpropanamide (50 mg, 0.34 mmol) in acetonitrile (0.8 mL) at room temperature were successively added formic acid (0.2 mL) and paraformaldehyde (50 mg, 1.67 mmol). The reaction mixture was then refluxed for 12 h, and the solution obtained was cooled to room temperature.
Work-up A: The crude mixture was concentrated under reduced pressure, and the residue was subjected to flash chromatography on silica gel (230–240 mesh) eluting with hexane/ethyl acetate (7:3) to yield 3-phenylpropanonitrile (37 mg, 85%).
Work-up B: The reaction mixture was diluted with ethyl acetate (10 mL) and washed successively with saturated sodium hydrogen carbonate solution (5 mL) and water (5 mL). The combined aqueous layers were extracted with ethyl acetate (2 × 10 mL). The combined organic layers were dried over Na2SO4, filtered, and concentrated. The crude 3-phenylpropanonitrile was purified as described above (Work-up A).
Definition
ChEBI: A nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group.
Synthesis Reference(s)
Journal of the American Chemical Society, 98, p. 4685, 1976 DOI: 10.1021/ja00431a078
Chemical and Pharmaceutical Bulletin, 10, p. 427, 1962 DOI: 10.1248/cpb.10.427
Allgemeine Beschreibung
The effect of 3-Phenylpropionitrile on the growth and survival of woodlouse Porcellio scaber has been studied.

3-PHENYLPROPIONITRILE Upstream-Materialien And Downstream Produkte

3-Phenylpropiononitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

645-59-0, 3-PHENYLPROPIONITRILE Verwandte Suche:

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