Cas no 1261679-05-3 (4-Methyl-3-(trifluoromethoxy)anisole)

4-Methyl-3-(trifluoromethoxy)anisole is a fluorinated aromatic ether compound characterized by the presence of a methyl group, a trifluoromethoxy substituent, and a methoxy group on a benzene ring. Its unique structural features, including the electron-withdrawing trifluoromethoxy moiety, make it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The compound exhibits enhanced stability and lipophilicity due to the trifluoromethyl group, which can improve bioavailability in active ingredients. Its chemical properties also facilitate selective functionalization, enabling precise modifications in complex molecular frameworks. Suitable for use in research and industrial applications, it serves as a versatile building block for developing advanced specialty chemicals.
4-Methyl-3-(trifluoromethoxy)anisole structure
1261679-05-3 structure
Product Name:4-Methyl-3-(trifluoromethoxy)anisole
CAS No:1261679-05-3
MF:C9H9F3O2
MW:206.161773443222
CID:4986552
Update Time:2025-06-07

4-Methyl-3-(trifluoromethoxy)anisole Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-3-(trifluoromethoxy)anisole
    • Inchi: 1S/C9H9F3O2/c1-6-3-4-7(13-2)5-8(6)14-9(10,11)12/h3-5H,1-2H3
    • InChI Key: REDDTSJHOOPOHC-UHFFFAOYSA-N
    • SMILES: FC(OC1C=C(C=CC=1C)OC)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 181
  • XLogP3: 4
  • Topological Polar Surface Area: 18.5

4-Methyl-3-(trifluoromethoxy)anisole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013004030-250mg
4-Methyl-3-(trifluoromethoxy)anisole
1261679-05-3 97%
250mg
$494.40 2023-09-03
Alichem
A013004030-500mg
4-Methyl-3-(trifluoromethoxy)anisole
1261679-05-3 97%
500mg
$839.45 2023-09-03
Alichem
A013004030-1g
4-Methyl-3-(trifluoromethoxy)anisole
1261679-05-3 97%
1g
$1460.20 2023-09-03
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