Cas no 35315-65-2 (9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)-)

9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)- structure
35315-65-2 structure
Product Name:9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)-
CAS No:35315-65-2
MF:C16H8ClF3O2
MW:324.681734085083
CID:323263
PubChem ID:283824
Update Time:2025-04-19

9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)-
    • 3-chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
    • 3-Chlor-6-trifluormethyl-phenanthren-9-carbonsaeure
    • AC1L5ZH9
    • AC1Q4K47
    • AG-J-80607
    • AR-1F2650
    • CTK1C6597
    • NSC139038
    • NSC-139038
    • SKCSHFCBSMHEQY-UHFFFAOYSA-N
    • SCHEMBL10080459
    • 35315-65-2
    • DTXSID30300803
    • Inchi: 1S/C16H8ClF3O2/c17-10-3-1-8-5-14(15(21)22)11-4-2-9(16(18,19)20)6-13(11)12(8)7-10/h1-7H,(H,21,22)
    • InChI Key: SKCSHFCBSMHEQY-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=CC(C(=O)O)=C3C=CC(C(F)(F)F)=CC3=C2C=1

Computed Properties

  • Exact Mass: 324.01654
  • Monoisotopic Mass: 324.016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 440
  • 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: 5.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.505
  • Boiling Point: 462.6°Cat760mmHg
  • Flash Point: 233.6°C
  • Refractive Index: 1.65
  • PSA: 37.3
  • LogP: 5.36340

9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)- Related Literature

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