Cas no 121503-84-2 (Benzene,1-isocyanato-4-pentyl-)

Benzene,1-isocyanato-4-pentyl- structure
121503-84-2 structure
Product Name:Benzene,1-isocyanato-4-pentyl-
CAS No:121503-84-2
MF:C12H15NO
MW:189.253603219986
CID:133352
PubChem ID:24880483
Update Time:2025-04-19

Benzene,1-isocyanato-4-pentyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-isocyanato-4-pentyl-
    • 1-isocyanato-4-pentylbenzene
    • 4-Pentylphenyl isocyanate
    • Benzene,1-isocyanato-4-pentyl
    • Benzene, 1-isocyanato-4-pentyl- (9CI)
    • 121503-84-2
    • DTXSID00412361
    • J-004508
    • 4-Pentylphenyl isocyanate, 97%
    • SCHEMBL1403683
    • MDL： MFCD04039897
    • Inchi： 1S/C12H15NO/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-14/h6-9H,2-5H2,1H3
    • InChI Key： PWOKMYGXLFAPHI-UHFFFAOYSA-N
    • SMILES： O=C=NC1C=CC(=CC=1)CCCCC

Computed Properties

  • Exact Mass: 189.11500
  • Monoisotopic Mass: 189.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 189
  • 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: nothing
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.987?g/mL?at 25?°C(lit.)
  • Boiling Point: 204-205?°C(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.5130(lit.)
  • PSA: 29.43000
  • LogP: 3.38660
  • Solubility: Not determined

Benzene,1-isocyanato-4-pentyl- Security Information

Benzene,1-isocyanato-4-pentyl- 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%

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