3-PHENYL-2-PROPYN-1-OL

Bezeichnung:3-PHENYL-2-PROPYN-1-OL

CAS-Nr1504-58-1

Englisch Name:3-PHENYL-2-PROPYN-1-OL

CBNumberCB5234707

SummenformelC9H8O

Molgewicht132.16

MOL-Datei1504-58-1.mol

3-PHENYL-2-PROPYN-1-OL physikalisch-chemischer Eigenschaften

Schmelzpunkt	119-122 °C
Siedepunkt	129-130 °C/10 mmHg (lit.)
Dichte	1.06 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.5850(lit.)
Flammpunkt	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Soluble in ether, acetone, benzene, chloroform, ethyl Acetate, methanol.
pka	12.94±0.10(Predicted)
Aggregatzustand	Liquid
Wichte	1.08
Farbe	Clear colorless to yellow
BRN	2040911
InChI	1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
InChIKey	NITUNGCLDSFVDL-UHFFFAOYSA-N
SMILES	OCC#Cc1ccccc1
CAS Datenbank	1504-58-1(CAS DataBase Reference)
NIST chemische Informationen	3-Phenyl-2-propyn-1-ol(1504-58-1)
EPA chemische Informationen	3-Phenyl-2-propyn-1-ol (1504-58-1)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
HazardClass	IRRITANT
HS Code	29062990
Speicherklasse	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3-PHENYL-2-PROPYN-1-OL Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
clear colorless to yellow liquid
Verwenden
An phenylacetylene derivative with inhibitory effect on nitrification in soil. It has potential bactericidal and fungicidal activity.
Verwenden
3-Phenyl-2-propyn-1-ol is an phenyl acetylene derivative with inhibitory effect on nitrification in soil.
Synthesis Reference(s)
Journal of Medicinal Chemistry, 40, p. 1230, 1997 DOI: 10.1021/jm960467d
Synthetic Communications, 26, p. 3593, 1996 DOI: 10.1080/00397919608003770
Synthese
Iodobenzene 8.0 g (39.2 mmol) was dissolved in tetrahydrofuran 50 mL and triethylamine 7.93 g (78.4 mmol), bis(triphenylphosphine)palladium(II) dichloride 566 mg (0.784 mmol) and copper(I) iodide 519 mg (2.74 mmol) were added to it under an ice bath and stirred for 30 minutes. To this was added propargyl alcohol dropwise with a dropping funnel 2.20 g (39.2 mmol) of tetrahydrofuran solution in 10 mL was warmed to room temperature, stirred for 30 min, and the reaction was terminated by passing through a short column (silica gel 64-210 m diam., 1.5 cm I.D. x 25 cm H). The product was washed three times with saturated aqueous sodium chloride solution, dried over sodium sulfate and concentrated to give a brown oily substance 6.29 g. The substance was treated by silica gel column chromatography (289 g, 2.1 cm i.d. x 40 cm long) with hexane-ethyl acetate (0-20-100%, step-gradient method) as the eluent to give 3-phenyl-2-propyn-1-ol (brown oily substance. 4.56 g) (88% yield).

3-PHENYL-2-PROPYN-1-OL Upstream-Materialien And Downstream Produkte

3-PHENYL-2-PROPYN-1-OL Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1504-58-1, 3-PHENYL-2-PROPYN-1-OL Verwandte Suche:

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