PRODUCT Properties
| Melting point: | -28 °C |
| Boiling point: | 146-148 °C/750 mmHg (lit.) |
| Density | 2.007 g/mL at 25 °C (lit.) |
| refractive index | 1.485-1.495 |
| Flash point: | 4°C |
| storage temp. | Storage temp. 2-8°C |
| solubility | Chloroform (Soluble), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slig |
| pka | 7.22±0.29(Predicted) |
| form | Liquid |
| color | Clear yellow |
| Stability: | Light Sensitive, Volatile |
| InChI | 1S/CH2BrNO2/c2-1-3(4)5/h1H2 |
| InChIKey | DNPRVXJGNANVCZ-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)CBr |
| CAS DataBase Reference | 563-70-2(CAS DataBase Reference) |
| EPA Substance Registry System | Methane, bromonitro- (563-70-2) |
Description and Uses
Bromonitromethane has received considerable attention as a one-carbon synthon for the synthesis of a variety of important organic intermediates.
Bromonitromethane is a key starting material for the preparation of the broad-spectrum antibiotic trovafloxacin, which contains the interesting 3-azabicyclo[ 3.1.0]hexane ring system.
it was used in the synthesis of 2-nitrobenzofuran and 2-nitro-2,3-dihydrobenzofuran-3-ols, nitrobenzothio-phenes, and nitrothiazoles, polyfunctionalized nitrocyclopropanes. It has also been utilized in the synthesis of 1-bromo-1-nitroalkan-2-ols and aryl nitromethanes. In addition, it could be used as a bromine donor.
Safety
| Symbol(GHS) |   GHS03,GHS07 |
| Signal word | Danger |
| Hazard statements | H272-H315-H319-H335 |
| Precautionary statements | P210-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xn-O,Xi,O |
| Risk Statements | 8-36/37/38-20/21/22 |
| Safety Statements | 36/37/39-26-17-36 |
| RIDADR | 3098 |
| WGK Germany | 3 |
| RTECS | PA5360000 |
| TSCA | TSCA listed |
| HazardClass | 5.1 |
| PackingGroup | III |
| HS Code | 29049095 |
| Storage Class | 5.1B - Oxidizing hazardous materials |
| Hazard Classifications | Eye Irrit. 2 Ox. Sol. 2 Skin Irrit. 2 STOT SE 3 |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) or 1.0 kg (2.2 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
