Physicochemical Properties
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.17 |
| Exact Mass | 211.048 |
| CAS # | 20357-25-9 |
| PubChem CID | 88505 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.312 g/cm3 |
| Boiling Point | 390.8ºC at 760 mmHg |
| Melting Point | 133.2-134.5 °C |
| Flash Point | 194.3ºC |
| Vapour Pressure | 2.59E-06mmHg at 25°C |
| Index of Refraction | 1.571 |
| LogP | 1.947 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 15 |
| Complexity | 239 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C([H])([H])[H])C1C([H])=C(C(C([H])=O)=C([H])C=1OC([H])([H])[H])[N+](=O)[O-] |
| InChi Key | YWSPWKXREVSQCA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3 |
| Chemical Name | 4,5-dimethoxy-2-nitrobenzaldehyde |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Zhang Lan, et al. Preparation of 6-[18F]fluoro-L-DOPA and its biodistribution in normal and unilateral PD model rats. Nuclear Science and Techniques, 13(4), 244-250. [2]. Reddy GN, et al. Quality assurance and quality control methods for animal and human applications of no-carrier-added 6-[18F]fluorodopa for PET investigations of dopaminergic systems. Appl Radiat Isot. 1993;44(7):993-998. |
| Additional Infomation | 4,5-dimethoxy-2-nitrobenzaldehyde is a C-nitro compound and an aromatic ether. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (473.55 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.84 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (11.84 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7355 mL | 23.6776 mL | 47.3552 mL | |
| 5 mM | 0.9471 mL | 4.7355 mL | 9.4710 mL | |
| 10 mM | 0.4736 mL | 2.3678 mL | 4.7355 mL |