Methyl 2-bromomethyl-3-nitrobenzoate
- CAS NO.：98475-07-1
- Empirical Formula: C9H8BrNO4
- Molecular Weight: 274.07
- MDL number: MFCD04114315
- EINECS: 619-354-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Methyl 2-bromomethyl-3-nitrobenzoate?
Description
Methyl 2-bromomethyl-3-nitrobenzoate is a white or light yellow solid under normal temperature and pressure. It is insoluble in water but soluble in alcoholic organic solvents.
Chemical properties
Pale Yellow Solid
The Uses of Methyl 2-bromomethyl-3-nitrobenzoate
Methyl 2-bromomethyl-3-nitrobenzoate is an organic ester derivative that can be used as an organic synthesis intermediate and a raw material for pharmaceutical chemical synthesis. It is a crucial synthesis intermediate for the drug molecule lenalidomide. Lenalidomide is an antineoplastic drug.
Structure
The ester group and benzyl bromide unit in the Methyl 2-bromomethyl-3-nitrobenzoate structure are easily convertible functional groups. Its structure contains a strong electron-attracting nitro group and an easily leaving bromine atom. The nitro group is a strong electron-withdrawing group that can increase the reactivity of molecules through conjugation effects and electron attraction. Due to these properties, it has wide applications in organic synthesis transformations.
Properties of Methyl 2-bromomethyl-3-nitrobenzoate
| Melting point: | 72-74° |
| Boiling point: | 370.9±32.0 °C(Predicted) |
| Density | 1.624±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Methanol |
| form | Solid |
| color | White to Light yellow |
| InChI | InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3 |
Safety information for Methyl 2-bromomethyl-3-nitrobenzoate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Methyl 2-bromomethyl-3-nitrobenzoate
| InChIKey | FCGIVHSBEKGQMZ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC([N+]([O-])=O)=C1CBr |
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