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Methyl 5-bromo-2-(trifluoromethoxy)benzoate(CAS: 773874-13-8)

Methyl 5-bromo-2-(trifluoromethoxy)benzoate
CAS Number

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Basic Information

Molecular Formula
C9H6BrF3O3
Molecular Weight
299.04 g/mol

Chemical Identifiers

SMILES
COC(=O)C1=C(C=CC(=C1)Br)OC(F)(F)F
InChIKey
RLAXIDPRPKZATK-UHFFFAOYSA-N

Database References

MDL Number
MFCD06203799

FAQ

Methyl 5-bromo-2-(trifluoromethoxy)benzoate is a crystalline compound with a molecular weight of approximately 304.02 g/mol. It has low solubility in water but good solubility in common organic solvents like dichloromethane and acetone. The compound shows limited reactivity under standard conditions but can undergo nucleophilic substitution reactions due to the presence of the bromine and trifluoromethoxy groups.
Methyl 5-bromo-2-(trifluoromethoxy)benzoate can be synthesized by bromination of methyl 2-(trifluoromethoxy)benzoate using bromine in the presence of a suitable base such as sodium tert-butylate. The reaction is carried out in a solvent like acetonitrile at room temperature. The yield is typically high, and the reaction is selective for the bromination of the phenolic hydroxyl group.
Methyl 5-bromo-2-(trifluoromethoxy)benzoate is primarily used in the pharmaceutical and chemical synthesis industries. It serves as an intermediate in the synthesis of various drugs and other chemical compounds. Additionally, it may have applications in polymer chemistry, where its bromine and trifluoromethoxy groups can influence the properties of polymers.
When handling Methyl 5-bromo-2-(trifluoromethoxy)benzoate, it is crucial to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate safety measures, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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