| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | No |
Popular Name: 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde 4-Hydroxy-3-methoxy-5-nitrobenza…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6635-20-7 , 6635-99-7 , [6635-20-7]
3-METHOXY-4-HYDROXY-5-NITROBENZALDEHYDE
3-methoxy-4-hydroxy-5-nitrobenzaldehyde; 4-hydroxy-3-methoxy-5-nitro-benzaldehyde
4-hydroxy-3-nitro-5-methoxybenzaldehyde
5-Nitrovanillin;4-Hydroxy-3-methoxy-5-nitrobenzaldehyde
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.18 | 3.79 | -44.76 | 0 | 6 | -1 | 95 | 196.138 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 133 - 135 | Enamine Building Blocks |
| MP | 133...135 | Enamine Building Blocks |
| M.P | 172-175 °C | Indofine |
| Melting_Point | 174-178? | Alfa-Aesar |
| Melting_Point | 174-178° | Alfa-Aesar |
| Mp [°C] | 175 - 178 | Acros Organics |
| MP | 176 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Patent Database Links | US2008076825; US2008103191 | ChEBI |
