Cas no 1805528-47-5 (Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate)

Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate is a fluorinated aromatic ester with a highly electron-deficient benzene core, making it a valuable intermediate in organic synthesis. The presence of two trifluoromethyl groups enhances its reactivity in electrophilic substitution and cross-coupling reactions, while the methyl ester group provides a handle for further functionalization. This compound is particularly useful in pharmaceutical and agrochemical research, where trifluoromethylated aromatics are sought after for their metabolic stability and lipophilicity. Its robust stability under a range of conditions and compatibility with organometallic catalysts further contribute to its utility in complex molecule construction.
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate structure
1805528-47-5 structure
Product Name:Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate
CAS No:1805528-47-5
MF:C11H8F6O2
MW:286.170444488525
CID:4954704
Update Time:2025-06-06

Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate
    • Inchi: 1S/C11H8F6O2/c1-5-3-6(9(18)19-2)8(11(15,16)17)7(4-5)10(12,13)14/h3-4H,1-2H3
    • InChI Key: BWFBVMPWAMBUHZ-UHFFFAOYSA-N
    • SMILES: FC(C1C(C(=O)OC)=CC(C)=CC=1C(F)(F)F)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 335
  • XLogP3: 3.9
  • Topological Polar Surface Area: 26.3

Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015009088-1g
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate
1805528-47-5 97%
1g
1,460.20 USD 2021-06-21
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