Physicochemical Properties
| Molecular Formula | C6H4BRNO3 |
| Molecular Weight | 218.01 |
| Exact Mass | 216.937 |
| CAS # | 13073-25-1 |
| PubChem CID | 13545453 |
| Appearance | Light brown to yellow solid powder |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 227.2±20.0 °C at 760 mmHg |
| Melting Point | 66-70 °C(lit.) |
| Flash Point | 91.2±21.8 °C |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.652 |
| LogP | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 11 |
| Complexity | 158 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=C([N+]([O-])=O)C(=C(Br)C=C1)O |
| InChi Key | VEJSIOPQKQXJAT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H4BrNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H |
| Chemical Name | 2-bromo-6-nitrophenol |
| 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 |
| 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]. D B Harper, et al. Studies on plant growth-regulating substances. 31. The metabolism of certain 2,6-disubstituted phenols within plant tissues. Ann Appl Biol. 1971 Apr;67(3):395-408. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (458.69 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.47 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 (11.47 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 | 4.5869 mL | 22.9347 mL | 45.8695 mL | |
| 5 mM | 0.9174 mL | 4.5869 mL | 9.1739 mL | |
| 10 mM | 0.4587 mL | 2.2935 mL | 4.5869 mL |