Sulfabenz

NSC-2619 · sulfabenz · Sulfa Vet · Sulfabenz (USAN) · Solfabenzo [DCIT] · Sulfanilanilide (8CI) · component of Sulfa Vet · 4-aminobenzenesulfoanilide

Identifikatoren & physikalische Daten

CAS No.	127-77-5
Summenformel	C12H12N2O2S
Durchschnittliche Molmasse	248,3 g/mol
Monoisotopische Masse	248,06194862 g/mol
SMILES	Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIKey	YBUXKQSCKVQATK-UHFFFAOYSA-N
PubChem CID	31390
ChEMBL	CHEMBL359839
EC No.	204-865-7
DTXSID	DTXSID9046287
Lokaler Name	Sulfabenz

XLogP	1,6
Polarare Oberfläche (TPSA)	80,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	17
Formalladung	0
Komplexität	323
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
LogP (Verteilungskoeffizient)	1.55
Schmelzpunkt	200°
Dichte	1.2701 (rough estimate)
Brechungsindex	1.5950 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	solid
pKa (Säurekonstante)	10.94 (in 50% aq alc)11.59 (in 80% aq alc)
Löslichkeit	7g/L(100 ºC)
InChI	1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey	YBUXKQSCKVQATK-UHFFFAOYSA-N
SMILES	Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
EPA chemische Informationen	Benzenesulfonamide, 4-amino-N-phenyl- (127-77-5)

GHS-Einstufung	WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)
Wassergefährdungsklasse (WGK)	WGK 3
TSCA-Inventar-Status	TSCA listed
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Antibacterial, coccidiostat (for poultry).