4-(Phenylsulfonyl)aniline

4-Aminodiphenyl Sulphone · Dapsone Impurity 7 · 4-desamino Dapsone · Dapsone Impurity 18 · Dapsone EP Impurity B · 4-AMinodiphenyl Sulfone · p-AMinodiphenyl Sulfone · p-Phenylsulfonylaniline

https://huagongshe.com/de/chemical/516666

Molekülstruktur von 4-(Phenylsulfonyl)aniline

Identifikatoren & physikalische Daten

CAS No.	7019-01-4
Summenformel	C12H11NO2S
Durchschnittliche Molmasse	233,29 g/mol
Monoisotopische Masse	233,05104959 g/mol
SMILES	Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIKey	GDYFDXDATVPPDR-UHFFFAOYSA-N
PubChem CID	516666
ChEMBL	CHEMBL357499
EC No.	968-839-3
DTXSID	DTXSID40333662

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	68,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	16
Formalladung	0
Komplexität	306
LogP (Verteilungskoeffizient)	1.84
Schmelzpunkt	175-177°C
Lagerbedingungen	Refrigerator, Under Inert Atmosphere
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	White to Off-White
Hauptanwendungen	pharmaceutical small molecule

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)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	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Anwendungen & Verwendung

Verwenden

4-Phenylsulfonylaniline is used in the preparation of novel Flufenamic acid analogues as inhibitors of androgen receptor mediated transcription.