HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-o-toluidin
FAST RED · 2-AMINO-5-NITROTOLUENE · PNOT · redrlbase · 2-AMino-5- · FAST RED RL BASE · 2-METHYL-4-NITROBENZENAMINE · Temlo
Identifikatoren & physikalische Daten
| CAS No. | 99-52-5 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])ccc1N |
| InChIKey | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
| PubChem CID | 7441 |
| ChEMBL | CHEMBL1319213 |
| EC No. | 202-762-1 |
| DTXSID | DTXSID3025629 |
| Lokaler Name | 4-Nitro-o-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 130-132 °C(lit.) |
| Siedepunkt | 294.61°C (rough estimate) |
| Dichte | 1.1586 |
| Dampfdruck | 20.4hPa at 133.5℃ |
| Brechungsindex | 1.6276 (estimate) |
| Flammpunkt | 157.2℃ |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Dichloromethane, DMSO, Ethyl Acetate, Methanol<0.1 g/100 mL at 22 ºC |
| Aggregatzustand | Crystalline Powder or Fine Needles |
| pKa (Säurekonstante) | 0.92±0.10(Predicted) |
| Farbe | Yellow to khaki or brownish |
| pH | 7 (H2O)(aqueous suspension) |
| BRN | 775772 |
| InChI | 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 |
| InChIKey | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
| SMILES | Cc1cc(ccc1N)[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | 1.311 at 25℃ |
| CAS Datenbank | 99-52-5(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Nitro-2-aminotoluene(99-52-5) |
| EPA chemische Informationen | 2-Methyl-4-nitroaniline (99-52-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2660 (NITROTOLUIDINES (MONO)) |
| Zollcode | 29214300 |
| RTECS-Nr. | XU8210000 |
| R-Sätze (R) | 23/24/25-33-51/53 |
| Gefahrensymbole | T,N,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 28-36/37-45-61-28A |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.