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2,3-Dihydro-2,2-dimethyl-6-[[1-naphthyl-4-(phenylazo)]azo]-1H-perimidin
SUDAN BLACK B · CI 26150 · Nsc 11239 · Black 2B · sot-black6 · BSudan Bla · Sudanblack · 199664-25G
![Molekülstruktur von 2,3-Dihydro-2,2-dimethyl-6-[[1-naphthyl-4-(phenylazo)]azo]-1H-perimidin](/img/chemical/61336.png)
Identifikatoren & physikalische Daten
| CAS No. | 4197-25-5 |
|---|---|
| Summenformel | C29H24N6 |
| Durchschnittliche Molmasse | 456,5 g/mol |
| Monoisotopische Masse | 456,20624477 g/mol |
| SMILES | CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1 |
| InChIKey | YCUVUDODLRLVIC-UHFFFAOYSA-N |
| PubChem CID | 61336 |
| ChEMBL | CHEMBL1872445 |
| ChEBI | CHEBI:88216 |
| EC No. | 224-087-1 |
| DTXSID | DTXSID0052091 |
| Lokaler Name | 2,3-Dihydro-2,2-dimethyl-6-[[1-naphthyl-4-(phenylazo)]azo]-1H-perimidin |
Chemische & physikalische Eigenschaften
| XLogP | 8,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 773 |
| Stoffklassen | Dyes -> Azo Dyes |
| Kosmetika | Hair dyeing |
| Physical Description | Powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 120-124 °C(lit.) |
| Siedepunkt | 552.68°C (rough estimate) |
| Dichte | 1.4899 (rough estimate) |
| Brechungsindex | 1.4570 (estimate) |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | Insoluble in watersoluble in ethanol, acetone, benzene, toluene, xylene, ethylene glycolSoluble in oils, fats, warm petrolatum, paraffin, phenol, ethanol, acetone, benzene, toluene and hydrocarbon. Insoluble in water. |
| pKa (Säurekonstante) | 2.94±0.40(Predicted) |
| Aggregatzustand | Powder/Solid |
| Farbe | Very dark brown to black |
| Merck | 13,8970 |
| BRN | 723248 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3/b33-32+,35-34+ |
| InChIKey | YCUVUDODLRLVIC-VPHDGDOJSA-N |
| SMILES | CC1(C)Nc2cccc3c(ccc(N1)c23)\N=N\c4ccc(\N=N\c5ccccc5)c6ccccc46 |
| CAS Datenbank | 4197-25-5(CAS DataBase Reference) |
| EPA chemische Informationen | C.I. Solvent Black 3 (4197-25-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 8.2% (182 of 2225) of reports.WarningH341 (90.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2225 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthalenyl]azo]-1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-4-(phenylazo)-1-naphthalenylazo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 63 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Muta. 2 (90.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32041900 |
| RTECS-Nr. | SD4431500 |
| R-Sätze (R) | 11-36/37/38 |
| Toxizität | LD50 ivn-mus: 63 mg/kg CSLNX* NX#04918 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 24/25-16-37/39-26 |
| Gefahrenklasse | IRRITANTMuta. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Sudan Black is a basic black dye that is used in staining triglycerides and lipids off some lipoproteins. Biological stain. Dyes and metabolites, Environmental Testing.
Herstellung & Synthese
synthetische
aniline diazotization, and Naphthalen-1-amine coupling, and its product to diazotization, and 2,2-Dimethyl-2,3-dihydro-1H-perimidinecoupling.