HuagongsheHuagongshe Chemistry Print Report · For research reference only
hydrogen (4-((4-(dimethylamino)phenyl)(2-ethoxy-5-sulphonato-4-(sulphonato-p-toluidino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium salt
CI 43525 · Xylene Blue BR · Acid Violet 15 · ACID VIOLET 6BN · acidviolet6bn,CI43525 · C.I.Acid Violet 15:C.I.43525 · ACID VIOLET 6BN, C.I. NO.43525 · 5-cyclohexadien-1-ylidene]-n-methyl-)amino]-5-sulfophenyl]methylene]-hydrox
Identifiers & Physical Properties
| CAS No. | 1324-50-1 |
|---|---|
| Molecular formula | C32H34N3NaO7S2 |
| Average molar mass | 659.8 g/mol |
| Monoisotopic mass | 659.17358671 g/mol |
| SMILES | CCOc1cc(Nc2ccc(C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(N(C)C)cc1.[Na+] |
| InChIKey | WQZNLMYQHGWSHK-UHFFFAOYSA-M |
| PubChem CID | 164813 |
| EC No. | 215-376-3 |
| DTXSID | DTXSID20927664 |
Chemical & Physical Properties
| Topological polar surface area | 159 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 7 |
| Heavy atoms | 45 |
| Formal charge | 0 |
| Complexity | 1,260 |
| EPA Substance Registry System | C.I. Acid Violet 15 (1324-50-1) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA inventory status | TSCA listed |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Preparation & Synthesis
Preparation
Bis(4-(dimethylamino)phenyl)methanone and N-p-tolyl-m-phenetidineand phosphorus oxychloride, and then converted to the sodium salt disulfonated.