Cas no 180146-66-1 (3-nitro-5-(trifluoromethyl)phenylmethanol)

3-nitro-5-(trifluoromethyl)phenylmethanol structure
180146-66-1 structure
Product Name:3-nitro-5-(trifluoromethyl)phenylmethanol
CAS No:180146-66-1
MF:C8H6F3NO3
MW:221.1333527565
MDL:MFCD11040241
CID:1370818
PubChem ID:18621888
Update Time:2025-04-20

3-nitro-5-(trifluoromethyl)phenylmethanol Chemical and Physical Properties

Names and Identifiers

    • [3-nitro-5-(trifluoromethyl)phenyl]methanol
    • benzenemethanol, 3-nitro-5-(trifluoromethyl)-
    • LogP
    • [3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]METHANOL(WXFC0790)
    • (3-Nitro-5-(trifluoromethyl)phenyl)methanol
    • 180146-66-1
    • CS-0138703
    • (3-nitro-5-trifluoromethyl-phenyl)-methanol
    • EN300-1692682
    • DB-362561
    • 5-trifluoromethyl-3-nitrobenzylalcohol
    • (3-nitro-5-trifluoromethylphenyl)methanol
    • SCHEMBL131155
    • W19034
    • MFCD11040241
    • 3-nitro-5-(trifluoromethyl)phenylmethanol
    • MDL: MFCD11040241
    • Inchi: 1S/C8H6F3NO3/c9-8(10,11)6-1-5(4-13)2-7(3-6)12(14)15/h1-3,13H,4H2
    • InChI Key: WSIIHVBSVSJXMQ-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(=CC(CO)=C1)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 221.02998
  • Monoisotopic Mass: 221.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 238
  • 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: 66A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.488
  • Boiling Point: 281.2°C at 760 mmHg
  • Flash Point: 123.9°C
  • Refractive Index: 1.507
  • PSA: 63.37

3-nitro-5-(trifluoromethyl)phenylmethanol Pricemore >>

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