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5,5'-[(4-Methyl-1,3-phenylen)bis(azo)]bis[toluol-2,4-diamin]
Solvent Brown · C.I.Solvent Brown 12 · C.I.Solvent Brown 12:C.I.21010:1 · 2,4-Bis(2,4-diamino-5-methylphenylazo)toluene · 5,5'-[(4-methyl-1,3-phenylene)bis(azo)]bis[toluene-2,4-diamine] · 4,4'-[(4-Methyl-1,3-phenylene)bisazo]bis(6-methylbenzene-1,3-diamine) · 4,4'-(4-Methyl-1,3-phenylenebisazo)bis(6-methyl-1,3-phenylenediamine) · 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene) bis(azo)]bis[6-methyl-
![Molekülstruktur von 5,5'-[(4-Methyl-1,3-phenylen)bis(azo)]bis[toluol-2,4-diamin]](/img/chemical/24674.png)
Identifikatoren & physikalische Daten
| CAS No. | 4482-25-1 |
|---|---|
| Summenformel | C21H24N8 |
| Durchschnittliche Molmasse | 388,5 g/mol |
| Monoisotopische Masse | 388,2123928 g/mol |
| SMILES | Cc1cc(N=Nc2ccc(C)c(N=Nc3cc(C)c(N)cc3N)c2)c(N)cc1N |
| InChIKey | SOJKLCSQJMPLCK-UHFFFAOYSA-N |
| PubChem CID | 24674 |
| ChEMBL | CHEMBL1602553 |
| EC No. | 224-764-1 |
| DTXSID | DTXSID5063491 |
| Lokaler Name | 5,5'-[(4-Methyl-1,3-phenylen)bis(azo)]bis[toluol-2,4-diamin] |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 154 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 581 |
| Kosmetika | Hair dyeing |
| Physical Description | Wet Solid |
| Siedepunkt | 729.0±60.0 °C(Predicted) |
| Dichte | 1.34±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 2.96±0.10(Predicted) |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| EPA chemische Informationen | 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl- (4482-25-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl-1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis[6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis[6-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 5,5'-[(4-methyl-1,3-phenylene)bis(azo)]bis[toluene-2,4-diamine] (EC: 224-764-1) |
| Weitere Sicherheitsinformationen | IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment |
| Hazard Classes and Categories | Aquatic Chronic 4 (100%)Carcinogenicity - category 2 |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
2 moles of nitrous acid treatment with 3 moles of 4-Methylbenzene-1,3-diamine hydrochloride.