Disodium 4,4'-(1,3-phenylenebis(azo(4,6-diamino-3,1-phenylene)azo))bis(benzenesulphonate)

DirectBrown3G · C.I.DirectBrown44 · VTEBSADXXKSKOE-HJHBPSPHSA-L · Direct brown 44 (C.I. 35005) · C.I.Direct Brown 44:C.I.35005 · Direct Brown 44 ISO 9001：2015 REACH · Direct Brown N-D3G, Direct Brown 2 27 · disodium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis(benzenesulphonate)

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Disodium 4,4'-(1,3-phenylenebis(azo(4,6-diamino-3,1-phenylene)azo))bis(benzenesulphonate) 분자 구조식

식별자 및 물리적 특성

CAS No.	6252-62-6
분자식	C30H24N12Na2O6S2
평균 분자량	758.7 g/mol
단동위원소 질량	758.11785744 g/mol
SMILES	Nc1cc(N)c(N=Nc2cccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c(N)cc3N)c2)cc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+]
InChIKey	VTEBSADXXKSKOE-UHFFFAOYSA-L
PubChem CID	80398
EC No.	228-375-8
DTXSID	DTXSID6064165

화학 및 물리적 성질

극성 표면적	334
수소 결합 공여자 수	4
수소 결합 수용자 수	18
회전 가능 결합 수	8
무거운 원자 수	52
형식 전하	0
복잡도	1,310
EPA	Benzenesulfonic acid, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, disodium salt (6252-62-6)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 63% (17 of 27) of all reports.WarningH315 (37%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 27 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzenesulfonic acid, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, disodium salt
Hazard Classes and Categories	Skin Irrit. 2 (37%)
TSCA 등재 상태	TSCA listed
기존화학 물질	2002-3-2071

제조 및 합성 방법

제조 방법

2 moles of nitrous acid treatment with 3 moles of Benzene-1,3-diaminedihydrochloride (This product may be based on the disazo dye mixture as the main ingredient, and commercial dyes are usually composed by a dihydrochloride). And its product (C.I. Basic Brown 1, C.I. 21000)as coupling component and diazotized 4-Aminobenzenesulfonic acid (2 mol) coupling