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4,4'-[1,4-Phenylenbis[imino(6-chlor-1,3,5-triazin-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]naphthalin-2,7-disulfonsure]
ProcionRedHEB · REACTIVE RED 120 · Brill. Red KE-3B · PROCION RED H-E3B · reactivered120dye · Cibacron Red 4G-E · C.I.Reactivered120 · Kayacion Red E-S3B
![Molekülstruktur von 4,4'-[1,4-Phenylenbis[imino(6-chlor-1,3,5-triazin-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]naphthalin-2,7-disulfonsure]](/img/chemical/73264.png)
Identifikatoren & physikalische Daten
| CAS No. | 61951-82-4 |
|---|---|
| Summenformel | C44H30Cl2N14O20S6 |
| Durchschnittliche Molmasse | 1.338,1 g/mol |
| Monoisotopische Masse | 1.335,9462118 g/mol |
| SMILES | O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7ccccc7S(=O)(=O)O)c(O)c56)n4)cc3)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 |
| InChIKey | OVSNDJXCFPSPDZ-UHFFFAOYSA-N |
| PubChem CID | 73264 |
| ChEMBL | CHEMBL3596198 |
| ChEBI | CHEBI:63886 |
| EC No. | 263-351-0 |
| DTXSID | DTXSID701335746 |
| Lokaler Name | 4,4'-[1,4-Phenylenbis[imino(6-chlor-1,3,5-triazin-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]naphthalin-2,7-disulfonsure] |
Chemische & physikalische Eigenschaften
| XLogP | 6,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 592 |
| H-Brücken-Donoren | 12 |
| H-Brücken-Akzeptoren | 34 |
| Frei drehbare Bindungen | 18 |
| Schwere Atome | 86 |
| Formalladung | 0 |
| Komplexität | 2.910 |
| Stoffklassen | Dyes -> Azo Dyes |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Dichte | 2.01±0.1 g/cm3(Predicted) |
| Lagerbedingungen | room temp |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | -1.52±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Black |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChIKey | OVSNDJXCFPSPDZ-YGZNCWGHSA-N |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.8% (125 of 187) of all reports.DangerH317 (23%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 187 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: C.I. Reactive Red 1202,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-: 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. |
| Weitere Sicherheitsinformationen | IMAP assessments - C.I. Reactive Red 120: Human health tier I assessment |
| Gefahrenübersicht | May cause skin and respiratory sensitization[Sigma-Aldrich MSDS] See Amido Black. |
| Hazard Classes and Categories | Skin Sens. 1 (23%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 42/43-4/43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Resp. Sens. 1Skin Sens. 1 |
Herstellung & Synthese
synthetische
2-Aminobenzenesulfonic acid diazo, and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acidcoupling, and 2,4,6-Trichloro-1,3,5-triazine first condensation, its product (2 Moore) and Benzene-1,4-diaminesecond condensation.