Physicochemical Properties
| Molecular Formula | C2H4BRNO |
| Molecular Weight | 137.96 |
| Exact Mass | 136.947 |
| CAS # | 683-57-8 |
| PubChem CID | 69632 |
| Appearance | White to off-white solid powder |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 271.6±23.0 °C at 760 mmHg |
| Melting Point | 87-91 °C(lit.) |
| Flash Point | 118.1±22.6 °C |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.511 |
| LogP | -0.52 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 5 |
| Complexity | 44.9 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | BrC([H])([H])C(N([H])[H])=O |
| InChi Key | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5) |
| Chemical Name | 2-bromoacetamide |
| 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]. Fries RW, et al. Activation of liver alcohol dehydrogenases by imidoesters generated in solution. Biochemistry. 1975;14(23):5233‐5238. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (724.85 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.12 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 (18.12 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (18.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2485 mL | 36.2424 mL | 72.4848 mL | |
| 5 mM | 1.4497 mL | 7.2485 mL | 14.4970 mL | |
| 10 mM | 0.7248 mL | 3.6242 mL | 7.2485 mL |