Cas no 91991-79-6 (4-Chloro-2,6-bis(trifluoromethyl)quinoline)

4-Chloro-2,6-bis(trifluoromethyl)quinoline structure
91991-79-6 structure
Product Name:4-Chloro-2,6-bis(trifluoromethyl)quinoline
CAS No:91991-79-6
MF:C11H4ClF6N
MW:299.599582672119
MDL:MFCD01566525
CID:1056161
PubChem ID:627037
Update Time:2025-04-20

4-Chloro-2,6-bis(trifluoromethyl)quinoline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2,6-bis(trifluoromethyl)quinoline
    • PC9418
    • SB70364
    • 91991-79-6
    • DTXSID60347867
    • A860176
    • SCHEMBL2709353
    • MFCD01566525
    • SY005997
    • FT-0748169
    • 2,6-Bis(trifluoromethyl)-4-chloroquinoline
    • DB-014593
    • Quinoline, 4-chloro-2,6-bis(trifluoromethyl)-
    • MDL: MFCD01566525
    • Inchi: 1S/C11H4ClF6N/c12-7-4-9(11(16,17)18)19-8-2-1-5(3-6(7)8)10(13,14)15/h1-4H
    • InChI Key: UWYOEGXROJASCN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(F)(F)F)N=C2C=CC(C(F)(F)F)=CC2=1

Computed Properties

  • Exact Mass: 298.99400
  • Monoisotopic Mass: 298.9936458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 328
  • 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: 12.9?2

Experimental Properties

  • Boiling Point: 251.8±35.0℃/760mmHg
  • PSA: 12.89000
  • LogP: 4.92580

4-Chloro-2,6-bis(trifluoromethyl)quinoline Pricemore >>

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