4-Anilino-3-nitro-N-phenylbenzolsulfonamid

Disperse Yellow 42 · Disperse Yellow 37 · LY-47173 · C.I.10338 · Yellow GWL · Allilon Yellow GE · Foron Yellow SE-FL · Resolin Yellow GGLS

Identifikatoren & physikalische Daten

CAS No.	5124-25-4
Summenformel	C18H15N3O4S
Durchschnittliche Molmasse	369,4 g/mol
Monoisotopische Masse	369,07832696 g/mol
SMILES	O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccccc1
InChIKey	BBFRYSKTTHYWQZ-UHFFFAOYSA-N
PubChem CID	21201
ChEMBL	CHEMBL1708990
EC No.	225-862-7
DTXSID	DTXSID8052148
Lokaler Name	4-Anilino-3-nitro-N-phenylbenzolsulfonamid

XLogP	4,4
Polarare Oberfläche (TPSA)	112
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	5
Schwere Atome	26
Formalladung	0
Komplexität	560
LogP (Verteilungskoeffizient)	3.62
Collision Cross Section	188.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8052148]
Schmelzpunkt	156 °C
Siedepunkt	548.1±60.0 °C(Predicted)
Dichte	1.3143 (rough estimate)
Dampfdruck	0Pa at 25℃
Brechungsindex	1.6320 (estimate)
pKa (Säurekonstante)	7.76±0.10(Predicted)
Löslichkeit	5.14mg/L at 20℃
LogP (Verteilungskoeffizient)	2.69 at 20℃
EPA chemische Informationen	3-Nitro-N4-phenylsulfanilanilide (5124-25-4)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 37.5% (9 of 24) of reports.WarningH317 (58.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 24 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Benzenesulfonamide, 3-nitro-N-phenyl-4-(phenylamino)-REACH registered substance: 4-anilino-3-nitro-N-phenylbenzenesulphonamide (EC: 225-862-7)Benzenesulfonamide, 3-nitro-N-phenyl-4-(phenylamino)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Sens. 1B (58.3%)
TSCA-Inventar-Status	TSCA listed

Disperse Yellow 42 is used in preparation of environment-friendly disperse dye compound for dyeing and printing of fabrics.

2-Nitro-N-isobutylbenzenesulfonamide and Aniline condensation