16,17-Dimethoxyviolanthren-5,10-dion

ci59825 · HSDB5474 · c.i.59825 · HSDB 5474 · HSDB-5474 · Green FFB · civatgreen1 · Vat Green 1

https://huagongshe.com/de/chemical/31410

Molekülstruktur von 16,17-Dimethoxyviolanthren-5,10-dion

Identifikatoren & physikalische Daten

CAS No.	113255-70-2
Summenformel	C36H20O4
Durchschnittliche Molmasse	516,5 g/mol
Monoisotopische Masse	516,13615912 g/mol
SMILES	COc1cc2c3c(ccc4c5ccc6c7c(cc(OC)c(c1c34)c75)-c1ccccc1C6=O)C(=O)c1ccccc1-2
InChIKey	JXUKQCUPTNLTCS-UHFFFAOYSA-N
PubChem CID	31410
EC No.	204-896-6
DTXSID	DTXSID4044531
Lokaler Name	16,17-Dimethoxyviolanthren-5,10-dion

Chemische & physikalische Eigenschaften

XLogP	8
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	40
Formalladung	0
Komplexität	971
Stoffklassen	Dyes -> Other Dyes
Lebensmittelzusatzstoffe	Devices -> FDA Regulatory Status of Color Additives
Decomposition	When heated to decomp ... emits acrid smoke, fumes.
Physical Description	Dry PowderSolid[MSDSonline]
Siedepunkt	521.39°C (rough estimate)
Dichte	1.1534 (rough estimate)
Brechungsindex	1.4760 (estimate)
Aggregatzustand	Solid
Farbe	Green to dark green
Stabilität	Stable. Incompatible with strong oxidizing agents.
CAS Datenbank	128-58-5(CAS DataBase Reference)
EPA chemische Informationen	Violanthrone, 16,17-dimethoxy- (128-58-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 39.4% (26 of 66) of reports.WarningH319 (59.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 4 notifications to the ECHA C&L Inventory.Not Classified
Regulatorische Informationen	Chemical: Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 16,17-dimethoxy-Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy- 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: 16,17-dimethoxyviolanthrene-5,10-dione (EC: 204-896-6)Anthra9,1,2-cdebenzorstpentaphene-5,10-dione, 16,17-dimethoxy-: 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.
Gefahrenübersicht	An irritant[HSDB] At lethal intraperitoneal (IP) doses, causes depressed activity and ataxiaIP LD50 (rat) = 2600 mg/kg[ChemIDplus] May cause irritation[MSDSonline]
Hazard Classes and Categories	Eye Irrit. 2 (59.1%)Not Classified
Environmental Biodegradation	VAT GREEN 1 HAD AN IC50 VALUE GREATER THAN 100 MG/L (CONCN FOR 50% INHIBITION OF RESP RATE) A RATE OF AT LEAST 80% OF THE CONTROL.
Non-Human Toxicity Excerpts	VAT GREEN 1 TL50 (CONCN @ WHICH 50% SURVIVE) PIMEPHALES PROMELAS GREATER THAN 180 MG/L/24 HR, 48 HR, & 96 HR @ 15 °C.
TSCA-Inventar-Status	TSCA listed
Gefahrstoffdaten	128-58-5(Hazardous Substances Data)

Anwendungen & Verwendung

Verwenden

16,17-Dimethoxyanthra[9,1,2-cde]-benzo[rst]pentaphene-5,10-dione is used in producing colored fibrous materials.

Herstellung & Synthese

synthetische

(a) In nitrobenzene lieutenant Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione oxidation products were methylated; (b) will be 2-Methoxy-7H-benzo[de]anthracen-7-onewith Potassium hydroxide to alkali fusion; (C) will Benzanthrone in sulfuric acid with manganese dioxide oxidation, then use Potassium hydroxide Etanol solution condensation, then methylation; (d) will be 16,17-Dihydroxyviolanthrone methylation.