2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염

2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염 · 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/ko/chemical/175181

2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염 분자 구조식

식별자 및 물리적 특성

CAS No.	72828-68-3
분자식	C27H26N2Na2O9S2
평균 분자량	632.6 g/mol
단동위원소 질량	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
현지명	2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염

화학 및 물리적 성질

극성 표면적	210
수소 결합 공여자 수	3
수소 결합 수용자 수	11
회전 가능 결합 수	5
무거운 원자 수	42
형식 전하	0
복잡도	1,160
EPA	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)

안전 및 규제

GHS 분류	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.
규제 정보	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 등재 상태	TSCA listed

2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염

식별자 및 물리적 특성

CAS No.

72828-68-3

분자식

C27H26N2Na2O9S2

평균 분자량

632.6 g/mol

단동위원소 질량

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

현지명

2-안트라센술폰산,8-[[4-(1,1-디메틸에틸)-2-술포페닐]아미노]-9,10-디히드로-1-히드록시-5-[(1-메틸에틸)아미노]-9,10-디옥소-,나트륨염

화학 및 물리적 성질

극성 표면적

210

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

1,160

EPA

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)

안전 및 규제

GHS 분류

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.

규제 정보

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 등재 상태

TSCA listed