Cas no 717-61-3 (4-Pyrimidinamine,2,6-bis(trifluoromethyl)-)

4-Pyrimidinamine,2,6-bis(trifluoromethyl)- structure
717-61-3 structure
Product Name:4-Pyrimidinamine,2,6-bis(trifluoromethyl)-
CAS No:717-61-3
MF:C6H3F6N3
MW:231.098541498184
CID:577615
PubChem ID:244542
Update Time:2025-04-19

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

Names and Identifiers

    • 4-Pyrimidinamine,2,6-bis(trifluoromethyl)-
    • 2,6-bis(trifluoromethyl)pyrimidin-4-amine
    • 2,6-bis-trifluoromethyl-pyrimidin-4-ylamine
    • 6-Amino-2,4-bis-trifluormethyl-pyrimidin
    • AC1L6DX1
    • AC1Q4JW7
    • AR-1D4716
    • CTK2I0551
    • NSC55492
    • Pyrimidine,6-bis(trifluoromethyl)-
    • MFCD08436604
    • VVDQDNLSLIIHSI-UHFFFAOYSA-N
    • SCHEMBL18923095
    • NSC-55492
    • 2,6-Bis(trifluoromethyl)-4-pyrimidinamine
    • AKOS000320548
    • AB44999
    • DTXSID90288370
    • 2,6-Bis(trifluoromethyl)-4-pyrimidinamine #
    • Pyrimidine, 4-amino-2,6-bis(trifluoromethyl)-
    • 717-61-3
    • Inchi: 1S/C6H3F6N3/c7-5(8,9)2-1-3(13)15-4(14-2)6(10,11)12/h1H,(H2,13,14,15)
    • InChI Key: VVDQDNLSLIIHSI-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(N)N=C(C(F)(F)F)N=1)(F)F

Computed Properties

  • Exact Mass: 231.02319
  • Monoisotopic Mass: 231.02311608g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 224
  • 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: 1.4
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.591
  • Boiling Point: 172.2°Cat760mmHg
  • Flash Point: 57.9°C
  • Refractive Index: 1.418
  • PSA: 51.8
  • LogP: 2.67760
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