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CAS 200956-56-5

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Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester

Description:
Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester, identified by CAS number 200956-56-5, is an organic compound characterized by its benzoic acid structure modified with a bromine atom and a difluoromethoxy group. This compound typically appears as a white to off-white solid and is soluble in organic solvents. The presence of the bromine atom and difluoromethoxy group contributes to its unique chemical reactivity and potential applications in pharmaceuticals and agrochemicals. The difluoromethoxy group enhances lipophilicity, which can influence the compound's biological activity and interaction with various targets. Additionally, the ester functional group indicates that it can undergo hydrolysis to release benzoic acid and methanol under appropriate conditions. The compound's properties, such as melting point, boiling point, and specific reactivity, can vary based on its molecular interactions and the environment in which it is studied. Overall, this compound represents a valuable structure in synthetic organic chemistry, with potential implications in medicinal chemistry and material science.
Formula:C9H7BrF2O3
InChI:InChI=1S/C9H7BrF2O3/c1-14-8(13)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3
InChI key:InChIKey=PIVLQGBDVHMHDD-UHFFFAOYSA-N
SMILES:O(C(F)F)C1=C(Br)C=C(C(OC)=O)C=C1
Synonyms:
  • Methyl 3-bromo-4-difluoromethoxybenzoate
  • 3-Bromo-4-difluoromethoxy-benzoic acid methyl ester
  • Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester
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