3-Nitro-p-toluylsure
Bezeichnung:3-Nitro-p-toluylsure
CAS-Nr96-98-0
Englisch Name:4-Methyl-3-nitrobenzoic acid
CBNumberCB7218697
SummenformelC8H7NO4
Molgewicht181.15
MOL-Datei96-98-0.mol
Synonyma
3-Nitro-p-toluylsure
3-Nitro-p-toluylsure physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 187-190 °C (lit.) |
| Siedepunkt | 314.24°C (rough estimate) |
| Dichte | 1.4283 (rough estimate) |
| Dampfdruck | 0.001Pa at 20℃ |
| Brechungsindex | 1.5468 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| Löslichkeit | 0.257g/l |
| pka | 3.66±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| Wasserlöslichkeit | <0.1 g/100 mL at 22 ºC |
| BRN | 1874411 |
| InChI | 1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | BBEWSMNRCUXQRF-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1[N+]([O-])=O)C(O)=O |
| LogP | 1.65 at 23℃ and pH6.3-6.7 |
| CAS Datenbank | 96-98-0(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Methyl-3-nitrobenzoic acid (96-98-0) |
| Kennzeichnung gefährlicher | Xn,Xi |
| R-Sätze: | 36/37/38-20/21/22-22 |
| S-Sätze: | 36/37/39-26-22-36-24/25 |
| WGK Germany | 1 |
| TSCA | TSCA listed |
| HS Code | 29163990 |
| Speicherklasse | 11 - Combustible Solids |
