6,18-Dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazol-5,7,12,17,19,24-hexon

C.I. 70805 · Yellow 3RT · VATYELLOW3R · vat orange 11 · Vat Yellow 3RT · C.I.VATORANGE11 · Vat Orange 11:1 · Convat Orange AA

https://huagongshe.com/de/chemical/75113

Molekülstruktur von 6,18-Dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazol-5,7,12,17,19,24-hexon

Identifikatoren & physikalische Daten

CAS No.	2172-33-0
Summenformel	C42H18N2O6
Durchschnittliche Molmasse	646,6 g/mol
Monoisotopische Masse	646,1164863 g/mol
SMILES	O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12
InChIKey	CVWSULASWLZVCH-UHFFFAOYSA-N
PubChem CID	75113
EC No.	218-524-5
DTXSID	DTXSID8062232
Lokaler Name	6,18-Dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazol-5,7,12,17,19,24-hexon

Chemische & physikalische Eigenschaften

XLogP	7,7
Polarare Oberfläche (TPSA)	134
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	0
Schwere Atome	50
Formalladung	0
Komplexität	1.460
Dichte	1.651
pKa (Säurekonstante)	11.90±0.20(Predicted)
Löslichkeit	1μg/L at 20℃
EPA chemische Informationen	Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone (2172-33-0)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 68.2% (15 of 22) of all reports.WarningH317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone, 6,18-dihydro-REACH registered substance: 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone (EC: 218-524-5)Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone: 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	Skin Sens. 1B (31.8%)
TSCA-Inventar-Status	TSCA listed

Herstellung & Synthese

synthetische

1,5-Diaminoanthraquinoneand 1-Bromoanthracene-9,10-dione or 1-Chloroanthraquinone(2 Moore) condensation, product Potassium hydroxide with Aluminium chloride or cyclization, with Potassium permanganate again or Sodium hypochlorite oxidation.