Cas no 659729-09-6 (4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine)

4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine structure
659729-09-6 structure
Product Name:4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
CAS No:659729-09-6
MF:C11H6ClF3N2
MW:258.626951694489
MDL:MFCD09839523
CID:962876
PubChem ID:16747837
Update Time:2025-04-19

4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
    • 4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine
    • 4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine
    • Pyrimidine, 4-chloro-6-[4-(trifluoromethyl)phenyl]-
    • 4-chloro-6-[4-(trifluoromethyl)-phenyl]pyrimidine
    • 4-chloro-6-(4-(trifluoromethyl)-phenyl)pyrimidine
    • 4-Chloro-6-(4-trifluoromethyl-phenyl)-pyrimidine
    • RYYMGPDAXCLXSL-UHFFFAOYSA-N
    • 0122AC
    • RP29216
    • SB60730
    • MFCD09839523
    • 4-chloro-6-(4-trifluoromethyl-phenyl)pyrimidine
    • A867560
    • P16646
    • AS-53542
    • DB-358127
    • 4-chloro-6-(4-(trifluoromethyl)phenyl) pyrimidine
    • CS-0186991
    • J-515072
    • SCHEMBL605004
    • AKOS014987258
    • 4-chloro-6-(4-trifluoromethylphenyl)pyrimidine
    • DTXSID80587783
    • 659729-09-6
    • MDL: MFCD09839523
    • Inchi: 1S/C11H6ClF3N2/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)11(13,14)15/h1-6H
    • InChI Key: RYYMGPDAXCLXSL-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C2C=CC(C(F)(F)F)=CC=2)=NC=N1

Computed Properties

  • Exact Mass: 258.01700
  • Monoisotopic Mass: 258.0171604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 252
  • 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
  • Topological Polar Surface Area: 25.8
  • XLogP3: 3.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.386
  • Melting Point: No data available
  • Boiling Point: 318.736°C at 760 mmHg
  • Flash Point: 146.567°C
  • Refractive Index: 1.522
  • PSA: 25.78000
  • LogP: 3.81580

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