4,4'-Dimethoxychalcone

(E)-4,4'-Dimethoxychalcone · 4,4'-Dimethoxy-trans-chalcone · 1,3-bis(4-methoxyphenyl)-2-propen-1-one · (2E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one · (E)-1,3-Bis(4-methoxyphenyl)-2-propene-1-one · (E)-β-(4-Methoxyphenyl)-4'-methoxyacrylophenone · 2-Propen-1-one, 1,3-bis(4-methoxyphenyl)-, (2E)-

https://huagongshe.com/de/chemical/5377817

Molekülstruktur von 4,4'-Dimethoxychalcone

Identifikatoren & physikalische Daten

CAS No.	2373-89-9
Summenformel	C17H16O3
Durchschnittliche Molmasse	268,31 g/mol
Monoisotopische Masse	268,10994437 g/mol
SMILES	COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1
InChIKey	HDXVSZWKIHQDES-LFYBBSHMSA-N
PubChem CID	5377817
ChEMBL	CHEMBL138314
ChEBI	CHEBI:232318
EC No.	666-868-3
DTXSID	DTXSID001311791

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	20
Formalladung	0
Komplexität	321
SpringerMaterials Properties	Chemical structure
Schmelzpunkt	100°C - 102·C
Siedepunkt	444.6±45.0 °C(Predicted)
Dichte	1.128±0.06 g/cm3(Predicted)
Lagerbedingungen	Refrigerator, under inert atmosphere
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	Pale Yellow to Yellow
CAS Datenbank	41564-67-4

Sicherheit & Vorschriften

GHS-Einstufung	WarningH400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Aquatic Acute 1 (97.5%)