1-Phenyl-2-propen-1-on

1-phenylprop-2-en-1-one · acrylophenone · 2-propenophenone · phenylvinylketone · 1-phenyl-2-propen- · ketone,phenylvinyl · 1-Phenyl-2-propen-1- · Fluoxetine Impurity 8

https://huagongshe.com/de/chemical/13028

Molekülstruktur von 1-Phenyl-2-propen-1-on

Identifikatoren & physikalische Daten

CAS No.	768-03-6
Summenformel	C9H8O
Durchschnittliche Molmasse	132,16 g/mol
Monoisotopische Masse	132,05751488 g/mol
SMILES	C=CC(=O)c1ccccc1
InChIKey	KUIZKZHDMPERHR-UHFFFAOYSA-N
PubChem CID	13028
ChEMBL	CHEMBL3099615
EC No.	212-190-4
DTXSID	DTXSID30227607
Lokaler Name	1-Phenyl-2-propen-1-on

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	132
LogP (Verteilungskoeffizient)	1.88
Siedepunkt	204.08°C (rough estimate)
Dichte	1.0270 (rough estimate)
Brechungsindex	1.5181 (estimate)
Lagerbedingungen	Inert atmosphere,Store in freezer, under -20°C
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand	Oil
Farbe	Clear Colorless to Pale Yellow
Stabilität	Light and Temperature Sensitive
InChI	InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InChIKey	KUIZKZHDMPERHR-UHFFFAOYSA-N
SMILES	C(C1=CC=CC=C1)(=O)C=C
NIST chemische Informationen	2-Propen-1-one, 1-phenyl-(768-03-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
Zollcode	2914390090

Anwendungen & Verwendung

Verwenden

1-Phenyl-2-propen-1-one is a chemical reagent used in the synthesis of pharmaceutical agents. Used in the preparation of functionalized aminoindolizines as well as pyrano[3,2-x]coumarins.