HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-2-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5)
Reactive green 8 · C.I. Reactive green 8 · C.I.Reactive Green 8:C.I.132483 · pentasodium,7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate · 1,3,6-Naphthalenetrisulfonicacid,7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]d

Identifiers & Physical Properties
| CAS No. | 12225-77-3 |
|---|---|
| Molecular formula | C40H23ClN11Na5O18S5 |
| Average molar mass | 1,256.4 g/mol |
| SMILES | NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(Nc4cc(S(=O)(=O)[O-])c(N)c5c4C(=O)c4ccccc4C5=O)ccc3S(=O)(=O)[O-])n2)ccc1N=Nc1cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | CRPWZYNYCKUHKB-XJUZYCMFSA-I |
| PubChem CID | 5490502 |
| EC No. | 274-445-6 |
| DTXSID | DTXSID901018659 |
Chemical & Physical Properties
| Topological polar surface area | 543 |
|---|---|
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 27 |
| Rotatable bonds | 9 |
| Heavy atoms | 80 |
| Formal charge | 0 |
| Complexity | 2,690 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5) |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Not Classified |
Preparation & Synthesis
Preparation
2,4,6-Trichloro-1,3,5-triazine and N-(3-aminophenyl)acetamide, condensation, 7-Aminonaphthalene-1,3,6-trisulfonic acid diazotization and coupling condensation product with 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid condensation.