Cas no 393-05-5 (1,2,4-tris(trifluoromethyl)benzene)

1,2,4-tris(trifluoromethyl)benzene structure
393-05-5 structure
Product Name:1,2,4-tris(trifluoromethyl)benzene
CAS No:393-05-5
MF:C9H3F9
MW:282.105754137039
CID:1504673
PubChem ID:3013874
Update Time:2025-04-21

1,2,4-tris(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-tris(trifluoromethyl)benzene
    • AKOS005255376
    • 1,2,4-tris-(trifluoromethyl)-benzene
    • 1.2.4 Tris(tri-fluormethyl)benzol
    • 1,2,4-tris-trifluoromethyl-benzene
    • AC1MHYRX
    • 1,2,4-Tris-trifluormethyl-benzol
    • Benzene, 1,2,4-tris(trifluoromethyl)-
    • AKOS005255376; 1,2,4-tris-(trifluoromethyl)-benzene; 1.2.4 Tris(tri-fluormethyl)benzol; 1,2,4-tris-trifluoromethyl-benzene; AC1MHYRX; 1,2,4-Tris-trifluormethyl-benzol; Benzene, 1,2,4-tris(trifluoromethyl)-;
    • DTXSID80192538
    • MFCD16140151
    • SCHEMBL6061078
    • 393-05-5
    • QZPROWPVBAXNOK-UHFFFAOYSA-N
    • Inchi: 1S/C9H3F9/c10-7(11,12)4-1-2-5(8(13,14)15)6(3-4)9(16,17)18/h1-3H
    • InChI Key: QZPROWPVBAXNOK-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(F)(F)F)C=CC=1C(F)(F)F)(F)F

Computed Properties

  • Exact Mass: 282.00909
  • Monoisotopic Mass: 282.00910355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 284
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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