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4-[[5-(Anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalin-2-carboxamid
Red Violet · C.I. 12360 · C.I.P.R.31 · Pigment Red 31 · Red Violet BF · Polymo Rose FBL · Einecs 229-246-9 · c.i. pigment red 212
![Molekülstruktur von 4-[[5-(Anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalin-2-carboxamid](/img/chemical/80926.png)
Identifikatoren & physikalische Daten
| CAS No. | 6448-96-0 |
|---|---|
| Summenformel | C31H23N5O6 |
| Durchschnittliche Molmasse | 561,5 g/mol |
| Monoisotopische Masse | 561,16483347 g/mol |
| SMILES | COc1ccc(C(=O)Nc2ccccc2)cc1N=Nc1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12 |
| InChIKey | GLZGTQYOWXFUNZ-UHFFFAOYSA-N |
| PubChem CID | 80926 |
| EC No. | 229-246-9 |
| DTXSID | DTXSID2064365 |
| Lokaler Name | 4-[[5-(Anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalin-2-carboxamid |
Chemische & physikalische Eigenschaften
| XLogP | 6,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 158 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 42 |
| Formalladung | 0 |
| Komplexität | 968 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 703.3±60.0 °C(Predicted) |
| Dichte | 1.37 |
| Dampfdruck | 0Pa at 25℃ |
| pKa (Säurekonstante) | 11.10±0.70(Predicted) |
| Löslichkeit | 7.22ng/L at 25℃ |
| LogP (Verteilungskoeffizient) | 7.89 |
| CAS Datenbank | 6448-96-0(CAS DataBase Reference) |
| EPA chemische Informationen | C.I. Pigment Red 31 (6448-96-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (70 of 70) of all reports.Not ClassifiedAggregated GHS information provided per 70 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-(3-nitrophenyl)-REACH registered substance: 4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (EC: 229-246-9) |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Pigment Red 31 (CAS# 6448-96-0) is an organic azo dye used as a colourant and pigment in a variety of applications, such as in inkjet printer ink. Pigment Red 31 interacts with Laponite RD to form a hydrophobic fluorescent organic pigment, a useful analytical reagent.