Cas no 140455-13-6 (Benzoic acid, 2,4,6-trifluoro-3,5-bis(trifluoromethyl)-)

Benzoic acid, 2,4,6-trifluoro-3,5-bis(trifluoromethyl)- structure
140455-13-6 structure
Product Name:Benzoic acid, 2,4,6-trifluoro-3,5-bis(trifluoromethyl)-
CAS No:140455-13-6
MF:C9HF9O2
MW:312.08867430687
CID:1293515
Update Time:2024-08-04

Benzoic acid, 2,4,6-trifluoro-3,5-bis(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,4,6-trifluoro-3,5-bis(trifluoromethyl)-
    • Inchi： 1S/C9HF9O2/c10-4-1(7(19)20)5(11)3(9(16,17)18)6(12)2(4)8(13,14)15/h(H,19,20)
    • InChI Key： AHJUJTBNSNXQLP-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=C(F)C(C(F)(F)F)=C(F)C(C(F)(F)F)=C1F

Computed Properties

  • Exact Mass: 311.98323

Experimental Properties

  • Density: 1.718±0.06 g/cm3(Predicted)
  • Boiling Point: 216.0±40.0 °C(Predicted)
  • PSA: 37.3
  • pka: 1.42±0.10(Predicted)

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