1-[4-(4-Morpholinylsulfonyl)phenyl]ethanone

AKOS BBS-00001193 · 4-MORPHOLINSULFAMYL-ACETOPHENONE · 1-(4-(Morpholinosulfonyl)phenyl)ethanone · 1-(4-(Morpholinosulfonyl)phenyl)ethan-1-one · 1-(4-(4-MORPHOLINYLSULFONYL)PHENYL)ETHANONE · 1-[4-(Morpholine-4-sulfonyl)-phenyl]-ethanone · Ethanone, 1-[4-(4-morpholinylsulfonyl)phenyl]-

https://huagongshe.com/de/chemical/746765

Molekülstruktur von 1-[4-(4-Morpholinylsulfonyl)phenyl]ethanone

Identifikatoren & physikalische Daten

CAS No.	58722-35-3
Summenformel	C12H15NO4S
Durchschnittliche Molmasse	269,32 g/mol
Monoisotopische Masse	269,07217896 g/mol
SMILES	CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIKey	VPKDMMVZORPXFJ-UHFFFAOYSA-N
PubChem CID	746765
EC No.	998-752-6
DTXSID	DTXSID40974251

Chemische & physikalische Eigenschaften

XLogP	0,4
Polarare Oberfläche (TPSA)	72,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	3
Schwere Atome	18
Formalladung	0
Komplexität	387
Schmelzpunkt	155-156 °C
Siedepunkt	448.0±55.0 °C(Predicted)
Dichte	1.298±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	-8.18±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)