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|
Items |
Specifications |
Test Result |
|
Appearance |
Light yellow to yellow solid |
Yellow solid |
|
Identification(IR) |
1H-NMR |
Confirm |
|
Purity (HPLC) |
≥98.0% |
98.6% |
| Product Name: | 2-Methoxy-3-nitrobenzamide |
| Synonyms: | 2-Methoxy-3-nitrobenzamide;Benzamide, 2-methoxy-3-nitro-;Deucravacitinib Impurity 4 |
| CAS: | 722538-98-9 |
| MF: | C8H8N2O4 |
| MW: | 196.16 |
| Melting point | 124 °C(Solv: water (7732-18-5)) |
| Boiling point | 326.5±27.0 °C(Predicted) |
| density | 1.362±0.06 g/cm3(Predicted) |
| pka | 14.46±0.50(Predicted) |
| InChI | InChI=1S/C8H8N2O4/c1-14-7-5(8(9)11)3-2-4-6(7)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChIKey | VGIYIBRECHOFLC-UHFFFAOYSA-N |
| SMILES | C(N)(=O)C1=CC=CC([N+]([O-])=O)=C1OC |
