4-o-Tolylazo-o-toluidin
SOLVENT YELLOW 3 · 2-AMINOAZOTOLUENE · FAST GARNET GBC BASE · 2-Methyl-5-(p-tolyldiazenyl)aniline · OAAT · o-AT · aat[qr] · oaat[qr]
Identifikatoren & physikalische Daten
| CAS No. | 41576-40-3 |
|---|---|
| Summenformel | C14H15N3 |
| Durchschnittliche Molmasse | 225,29 g/mol |
| Monoisotopische Masse | 225,12659749 g/mol |
| SMILES | Cc1cc(N=Nc2ccccc2C)ccc1N |
| InChIKey | PFRYFZZSECNQOL-UHFFFAOYSA-N |
| PubChem CID | 7340 |
| ChEMBL | CHEMBL1701225 |
| ChEBI | CHEBI:82285 |
| DTXSID | DTXSID1020069 |
| Lokaler Name | 4-o-Tolylazo-o-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 264 |
| SpringerMaterials Properties | Boiling point |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 155.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1020069] |
| Schmelzpunkt | 101-102 °C |
| Siedepunkt | 356.8°C (rough estimate) |
| Dichte | 1.1303 (rough estimate) |
| Brechungsindex | 1.5770 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)7mg/L(37 ºC) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.01±0.10(Predicted) |
| Farbe | Red-brown |
| pH | pH : 1.4~2.8 |
| Merck | 14,420 |
| BRN | 6506005 |
| Henry-Konstante | 3.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stabilität | Light Sensitive |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+ |
| InChIKey | PFRYFZZSECNQOL-WUKNDPDISA-N |
| SMILES | Cc1ccccc1\N=N\c2ccc(N)c(C)c2 |
| CAS Datenbank | 97-56-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-(97-56-3) |
| EPA chemische Informationen | C.I. Solvent Yellow 3 (97-56-3) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1789 8/PG 2 |
| Zollcode | 29270000 |
| RTECS-Nr. | XU8800000 |
| R-Sätze (R) | 45-22-43-35 |
| Toxizität | LD50 oral in dog: 300mg/kg |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-45-36/37/39-26 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralCarc. 1BEye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
| Gefahrstoffdaten | 97-56-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Coloring oils, fats and waxes; manufacture of pigments. Chemical intermediate for the production of dyes.
Herstellung & Synthese
synthetische
(a) will Sodium nitrite (1 Moore) to join O-Methylaniline (8.5 Moore) and hydrochloric acid (1 Moore), the temperature is maintained at 28 ℃ below, until diazotization finish. Add a small amount of hydrochloric acid (about 0.2 Moore), and heating (40 ℃, 3 hours), in order to separate, with Sodium hydroxide for mercerization, and distillation reservoir. In order to get the refined products, usable alcohol recrystallization; (b) O-Methylanilinediazotization, and O-Methylanilinebase Methanesulfonic acid coupling, and then with Sodium hydroxide solution common boiling, hydrolysis off Methanesulfonic acid base.