2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt

2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl) -2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1 -methylethyl)amino]-9,10-dioxo-, sodium salt

https://huagongshe.com/de/chemical/175181

Molekülstruktur von 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt

Identifikatoren & physikalische Daten

CAS No.	72828-68-3
Summenformel	C27H26N2Na2O9S2
Durchschnittliche Molmasse	632,6 g/mol
Monoisotopische Masse	632,08751132 g/mol
SMILES	CC(C)Nc1ccc(Nc2ccc(C(C)(C)C)cc2S(=O)(=O)[O-])c2c1C(=O)c1ccc(S(=O)(=O)[O-])c(O)c1C2=O.[Na+].[Na+]
InChIKey	FSNNTIUWZWTFTK-UHFFFAOYSA-L
PubChem CID	175181
EC No.	280-148-2
DTXSID	DTXSID001351757

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	210
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	11
Frei drehbare Bindungen	5
Schwere Atome	42
Formalladung	0
Komplexität	1.160
EPA chemische Informationen	2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (72828-68-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 8-4-(1,1-dimethylethyl)-2-sulfophenylamino-9,10-dihydro-1-hydroxy-5-(1-methylethyl)amino-9,10-dioxo-, disodium salt: 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	Eye Irrit. 2 (100%)
TSCA-Inventar-Status	TSCA listed

Identifikatoren & physikalische Daten

CAS No.

72828-68-3

Summenformel

C27H26N2Na2O9S2

Durchschnittliche Molmasse

632,6 g/mol

Monoisotopische Masse

632,08751132 g/mol

SMILES

CC(C)Nc1ccc(Nc2ccc(C(C)(C)C)cc2S(=O)(=O)[O-])c2c1C(=O)c1ccc(S(=O)(=O)[O-])c(O)c1C2=O.[Na+].[Na+]

InChIKey

FSNNTIUWZWTFTK-UHFFFAOYSA-L

PubChem CID

175181

EC No.

280-148-2

DTXSID

DTXSID001351757

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)

210

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

1.160

EPA chemische Informationen

2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (72828-68-3)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Chemical: 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 8-4-(1,1-dimethylethyl)-2-sulfophenylamino-9,10-dihydro-1-hydroxy-5-(1-methylethyl)amino-9,10-dioxo-, disodium salt: 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

Eye Irrit. 2 (100%)

TSCA-Inventar-Status

TSCA listed