3-Nitro-4,5-dihydroxybenzaldehyde
- CAS NO.：116313-85-0
- Empirical Formula: C7H5NO5
- Molecular Weight: 183.12
- MDL number: MFCD00871897
- EINECS: 441-810-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-15 17:10:08
What is 3-Nitro-4,5-dihydroxybenzaldehyde?
Chemical properties
Dark Yellow Solid
The Uses of 3-Nitro-4,5-dihydroxybenzaldehyde
3,4-Dihydroxy-5-nitrobenzaldehyde (Entacapone EP Impurity C) is an Entacapone (E558500) impurity.
The Uses of 3-Nitro-4,5-dihydroxybenzaldehyde
Entacapone (E558500) impurity.
Properties of 3-Nitro-4,5-dihydroxybenzaldehyde
| Melting point: | 147 °C |
| Boiling point: | 310.9±42.0 °C(Predicted) |
| Density | 1.667±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO |
| form | Solid |
| pka | 4.78±0.38(Predicted) |
| color | Dark Yellow |
| InChI | InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H |
| CAS DataBase Reference | 116313-85-0(CAS DataBase Reference) |
Safety information for 3-Nitro-4,5-dihydroxybenzaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P501:Dispose of contents/container to..… |
Computed Descriptors for 3-Nitro-4,5-dihydroxybenzaldehyde
| InChIKey | BBFJODMCHICIAA-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC([N+]([O-])=O)=C(O)C(O)=C1 |
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