HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalin-2-carboxamid
AKA404 · Fast Red N · C.I. 12315 · Scarlet BG · PIGMENT RED 22 · Solvent Green 5B · C.I.PIGMENTRED22 · 3117 Fast Scarlet N
![Molekülstruktur von 3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalin-2-carboxamid](/img/chemical/80925.png)
Identifikatoren & physikalische Daten
| CAS No. | 6448-95-9 |
|---|---|
| Summenformel | C24H18N4O4 |
| Durchschnittliche Molmasse | 426,4 g/mol |
| Monoisotopische Masse | 426,13280507 g/mol |
| SMILES | Cc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 |
| InChIKey | XYZMEPHFXJHGIX-UHFFFAOYSA-N |
| PubChem CID | 80925 |
| EC No. | 229-245-3 |
| DTXSID | DTXSID1052329 |
| Lokaler Name | 3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalin-2-carboxamid |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 120 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 690 |
| Collision Cross Section | 207.0 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1052329] |
| Siedepunkt | 622.6±55.0 °C(Predicted) |
| Dichte | 1.34±0.1 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 10.65±0.50(Predicted) |
| Farbe | Pink to red |
| LogP (Verteilungskoeffizient) | 2.18 at 20℃ and pH5.3 |
| CAS Datenbank | 6448-95-9(CAS DataBase Reference) |
| EPA chemische Informationen | C.I. Pigment Red 22 (6448-95-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 94.7% (54 of 57) of all reports.Not ClassifiedAggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl-REACH registered substance: 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide (EC: 229-245-3)2-Naphthalenecarboxamide, 3-hydroxy-4-(2-methyl-5-nitrophenyl)azo-N-phenyl-: 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 - Monoazo pigments that may release carcinogenic amines: Human health tier II assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Pigment Red 22 is used in method for increasing solubility of industrial azo pigments for NMR spectra and assignments of their NMR peaks.