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1-(4-(Phenylazo)phenylazo)-2-naphthol
SUDAN III · SUDAN · CI 26100 · SUDAN 3 · SUDAN RED · RED 17 · Sudan Ⅲ · Sundan
Identifikatoren & physikalische Daten
| CAS No. | 1071538-45-8 |
|---|---|
| Summenformel | C22H16N4O |
| Durchschnittliche Molmasse | 352,4 g/mol |
| Monoisotopische Masse | 352,13241113 g/mol |
| SMILES | Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1 |
| InChIKey | FHNINJWBTRXEBC-UHFFFAOYSA-N |
| PubChem CID | 62331 |
| ChEMBL | CHEMBL2001927 |
| ChEBI | CHEBI:82535 |
| EC No. | 201-638-4 |
| DTXSID | DTXSID3041742 |
| Lokaler Name | 1-(4-(Phenylazo)phenylazo)-2-naphthol |
Chemische & physikalische Eigenschaften
| XLogP | 5,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 508 |
| Stoffklassen | Dyes -> Azo Dyes |
| Kosmetika | Cosmetics ingredient -> ColorantCosmetic colorantHair dyeing |
| Duftstoffe | Fragrance Ingredient (2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.11 |
| Lebensmittelzusatzstoffe | Drugs, Cosmetics, Devices -> FDA Regulatory Status of Color Additives |
| Physical Description | Brown and green metallic solid[Merck Index] Red powder[MSDSonline] |
| Ionization Efficiency | Positive3.662.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 199 °C (dec.)(lit.) |
| Siedepunkt | 486.01°C (rough estimate) |
| Dichte | 1.2266 (rough estimate) |
| Brechungsindex | 1.6620 (estimate) |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Löslichkeit | Insoluble in watersoluble in benzene, chloroformmoderately soluble in acetone, ether, petroleum etherslightly soluble in ethanol, xylene |
| pKa (Säurekonstante) | 13.45±0.50(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Red-brown |
| Merck | 14,8884 |
| BRN | 2016384 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | cleaning productscosmeticsfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTHAIR DYEING |
| InChI | 1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23+,26-25+ |
| InChIKey | FHNINJWBTRXEBC-HXEHWPEMSA-N |
| SMILES | Oc1ccc2ccccc2c1\N=N\c3ccc(cc3)\N=N\c4ccccc4 |
| LogP (Verteilungskoeffizient) | 5.740 (est) |
| CAS Datenbank | 85-86-9(CAS DataBase Reference) |
| EPA chemische Informationen | C.I. Solvent Red 23 (85-86-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 77.8% (175 of 225) of all reports.DangerH315 (21.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 225 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-Hazard Traits - BioaccumulationEnvironmental PersistenceRegulation (EC) No 178/2002 (amended)2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment |
| Gefahrenübersicht | A skin, eye, and respiratory tract irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (21.3%)Skin Irrit. 2 (100%)Carcinogenicity - category 2 |
| Carcinogen Classification | Sudan IIIGroup 3: Not classifiable as to its carcinogenicity to humansVolume 8: (1975) Some Aromatic Azo Compounds1987 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32129000 |
| RTECS-Nr. | QK4250000 |
| R-Sätze (R) | 10-20-36/38-36/37/38 |
| Toxizität | cyt-ham:ovr 20 mmol/L/5H-C ENMUDM 1,27,79 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Solvent Red 23 is an oil-soluble red azo dye used in cosmetic products in Japan. Cases were reported in hairdressers, who also reacted to PPD and to paminoazobenzene. One case of contact dermatitis was reported in the metal industry.
Herstellung & Synthese
synthetische
4-(Phenyldiazenyl)benzenamine diazotization, and Naphthalen-2-ol coupling. Note: some goods by 4-(Phenyldiazenyl)benzenamine and 2-Methyl-4-(o-tolyldiazenyl)benzenamine mixture as diazo components and have to.