Cas no 1591-95-3 (Pentafluorophenyl Isocyanate)

Pentafluorophenyl Isocyanate structure
Pentafluorophenyl Isocyanate structure
Product Name:Pentafluorophenyl Isocyanate
CAS No:1591-95-3
MF:C7F5NO
MW:209.07301902771
MDL:MFCD01863699
CID:202091
PubChem ID:74125
Update Time:2025-09-23

Pentafluorophenyl Isocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,3,4,5-pentafluoro-6-isocyanato-
    • 1,2,3,4,5-pentafluoro-6-isocyanatobenzene
    • PENTAFLUOROPHENYL ISOCYANATE
    • 2,3,4,5,6-pentaflurophenyl isocyanate
    • Benzene,pentafluoroisocyanato
    • Isocyanate,pentafluorophenyl
    • Perfluorophenyl isocyanate
    • 2,3,4,5,6-PentafluoroPhenyl isocyanate
    • Pentafluoroisocyanatobenzene
    • AKOS009157796
    • EN300-143665
    • W-201438
    • PENTAFLUOROPHENYL ISOCYANATE 97
    • FS-4927
    • MFCD01863699
    • 1591-95-3
    • Pentafluorophenyl isocyanate, 97%
    • NS00048076
    • EINECS 216-470-7
    • QXLDBWRLZDBVGF-UHFFFAOYSA-N
    • DTXSID90166583
    • Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-
    • Pentafluorophenylisocyanate, 95%
    • Benzene, pentafluoroisocyanato-
    • Isocyanate, pentafluorophenyl-
    • SCHEMBL136454
    • Pentafluorophenyl Isocyanate
    • MDL： MFCD01863699
    • Inchi： 1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
    • InChI Key： QXLDBWRLZDBVGF-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C(=C(C=1N=C=O)F)F)F)F

Computed Properties

  • Exact Mass: 208.99000
  • Monoisotopic Mass: 208.99
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 241
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.6?g/mL?at 25?°C(lit.)
  • Boiling Point: 52?°C/2?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.449(lit.)
  • Solubility: Very slightly soluble (0.48 g/l) (25 o C),
  • PSA: 29.43000
  • LogP: 2.34940
  • Solubility: Not determined

Pentafluorophenyl Isocyanate Security Information

Pentafluorophenyl Isocyanate Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Pentafluorophenyl Isocyanate Pricemore >>

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