Trinatrium-3-[[4-[[6-(anilino)-1-hydroxy-3-sulfonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalin-1,5-disulfonat

C.I.27915 · Violet 35 · DirectViolet · Einecs 228-327-6 · Direct Violet 35 · C.I.DirectViolet35 · Brilliant Violet 5BFN · Brilliant Congo Blue 5R

https://huagongshe.com/de/chemical/80371

Molekülstruktur von Trinatrium-3-[[4-[[6-(anilino)-1-hydroxy-3-sulfonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalin-1,5-disulfonat

Identifikatoren & physikalische Daten

CAS No.	6227-20-9
Summenformel	C34H24N5Na3O11S3
Durchschnittliche Molmasse	843,8 g/mol
Monoisotopische Masse	843,03275297 g/mol
SMILES	COc1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)c(C)cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(Nc3ccccc3)ccc2c1O.[Na+].[Na+].[Na+]
InChIKey	VRVDFJOCCWSFLI-UHFFFAOYSA-K
PubChem CID	80371
EC No.	228-327-6
DTXSID	DTXSID70881404
Lokaler Name	Trinatrium-3-[[4-[[6-(anilino)-1-hydroxy-3-sulfonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalin-1,5-disulfonat

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	288
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	16
Frei drehbare Bindungen	7
Schwere Atome	56
Formalladung	0
Komplexität	1.600
Physical Description	Liquid
Dichte	1.56[at 20℃]
Dampfdruck	0Pa at 25℃
Löslichkeit	50g/L at 20℃
LogP (Verteilungskoeffizient)	-1
EPA chemische Informationen	C.I. Direct Violet 35, trisodium salt (6227-20-9)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 9.1% (12 of 132) of reports.WarningH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate (EC: 228-327-6)
Hazard Classes and Categories	Acute Tox. 4 (90.9%)
TSCA-Inventar-Status	TSCA listed

Herstellung & Synthese

synthetische

3-Aminonaphthalene-1,5-disulfonic acid diazo, and 2-Amino-4-methylanisole coupling, its product to diazo, in alkaline conditions and 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid coupling.