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HomeProduct name listMethyl 2-bromomethyl-3-nitrobenzoate

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: 2024-11-14 14:09:35
Methyl 2-bromomethyl-3-nitrobenzoate Structural

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)
ghs
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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