HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
C.I. 70805 · Yellow 3RT · VATYELLOW3R · vat orange 11 · Vat Yellow 3RT · C.I.VATORANGE11 · Vat Orange 11:1 · Convat Orange AA
Identifiers & Physical Properties
| CAS No. | 2172-33-0 |
|---|---|
| Molecular formula | C42H18N2O6 |
| Average molar mass | 646.6 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | 7.7 |
|---|---|
| Topological polar surface area | 134 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 50 |
| Formal charge | 0 |
| Complexity | 1,460 |
| Density | 1.651 |
| pKa (acidity coefficient) | 11.90±0.20(Predicted) |
| Solubility | 1μg/L at 20℃ |
| EPA Substance Registry System | 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) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H317-H412-H319 |
| GHS precautionary statements | P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P |
| TSCA inventory status | TSCA listed |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | 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. |
|---|---|
| Regulatory information | 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 inventory status | TSCA listed |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H317-H412-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
Vat Orange 11 is mainly used for cotton fabric dyeing and immersion dyeing, as well as direct printing on cotton fabric. It is also used for dyeing and color matching of silk and vinylon. It has good affinity and leveling properties and is an important low-brittleness fabric yellow dye. It can also be used for paper coloring.
Preparation & Synthesis
Preparation
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.