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3-Hydroxy-4-(6-hydroxy-m-tolylazo)naphthalin-1-sulfonsure
Caimagite · CALMAGITE · Nsc 299391 · CALMAGITE AR · Calmagite, GR · Calmagite solution · CALMAGITE FREE ACID · CALMAGIT Z. ANALYSE
Identifikatoren & physikalische Daten
| CAS No. | 3147-14-6 |
|---|---|
| Summenformel | C17H14N2O5S |
| Durchschnittliche Molmasse | 358,4 g/mol |
| Monoisotopische Masse | 358,06234255 g/mol |
| SMILES | Cc1ccc(O)c(N=Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1 |
| InChIKey | VBRNLOQCBCPPHL-UHFFFAOYSA-N |
| PubChem CID | 2530 |
| ChEMBL | CHEMBL122867 |
| EC No. | 221-563-0 |
| DTXSID | DTXSID8062866 |
| Lokaler Name | 3-Hydroxy-4-(6-hydroxy-m-tolylazo)naphthalin-1-sulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 128 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 590 |
| Schmelzpunkt | 330 °C (lit.) |
| Dichte | 0.989 |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | Solubility Soluble in water, ethanolSoluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 8.1(at 25℃) |
| Farbe | Purple |
| Geruch | Phenolic odor |
| Merck | 14,1718 |
| BRN | 708596 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | Nanoparticles, cleaning microelectronic substrates, sensors, photographic materials, recording materials, water hardness measurement, indicator for calcium and magnesium, determination of vanadium, medical component, measuring magnesium in biological fluids, diagnosis of diseases caused by elemental imbalance, treatment of thrombocytopenia, Kurine analysis test strip |
| InChI | 1S/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24) |
| InChIKey | VBRNLOQCBCPPHL-VHEBQXMUSA-N |
| SMILES | Cc1ccc(O)c(c1)N=Nc2c(O)cc(c3ccccc23)S(O)(=O)=O |
| EPA chemische Informationen | 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)azo]- (3147-14-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.9% (2 of 69) of reports.WarningH315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29270000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Der Farbstoff Calmagit wird nicht zur Textilfärbung verwendet, sondern dient in der analytischen Chemie als Indikator für die komplexometrische Metallbestimmung.
Verwenden
Calmagite is widely used in analytical chemistry as an indicator in the titration of calcium or magnesium with ethylenediaminetetraacetic acid (EDTA). It is also useful in the determination of magnesium in biological materials.