Cas no 68664-23-3 (3-Phenylpropylisocyanate)

3-Phenylpropylisocyanate structure
3-Phenylpropylisocyanate structure
Product Name:3-Phenylpropylisocyanate
CAS No:68664-23-3
MF:C10H11NO
MW:161.200442552567
CID:1003206
PubChem ID:3427666
Update Time:2025-08-03

3-Phenylpropylisocyanate Chemical and Physical Properties

Names and Identifiers

    • 3-PHENYLPROPYL ISOCYANATE 97
    • 3-isocyanatopropylbenzene
    • (3-isocyanatopropyl)benzene
    • 1-(3-isocyanatopropyl)benzene
    • 3-Phenyl-propylisocyanat
    • 3-phenylpropylisocyanate
    • Benzene,(3-isocyanatopropyl)
    • F2160-0021
    • 3-Phenylpropyl isocyanate,97%
    • WPABAKMRZCBXTO-UHFFFAOYSA-N
    • phenylpropylisocyanate
    • (3-isocyanatopropyl)-benzene
    • EN300-1265390
    • DTXSID10392382
    • SCHEMBL1149239
    • (3-Isocyanato-propyl)-benzene
    • 3-Phenylpropyl isocyanate
    • MFCD04039909
    • 3-Phenylpropyl isocyanate, 97%
    • AKOS010078905
    • GEO-02872
    • 68664-23-3
    • G90008
    • 3-Phenylpropylisocyanate
    • MDL: MFCD04039909
    • Inchi: 1S/C10H11NO/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
    • InChI Key: WPABAKMRZCBXTO-UHFFFAOYSA-N
    • SMILES: O=C=NCCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 161.08400
  • Monoisotopic Mass: 161.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 155
  • 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: 3.3
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • Density: 1.041?g/mL?at 25?°C(lit.)
  • Boiling Point: 238-239?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.5160(lit.)
  • PSA: 29.43000
  • LogP: 1.95500

3-Phenylpropylisocyanate Security Information

3-Phenylpropylisocyanate 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%

3-Phenylpropylisocyanate Pricemore >>

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