Cas no 480439-07-4 (3-Benzylphenyl Isocyanate)

3-Benzylphenyl Isocyanate structure
3-Benzylphenyl Isocyanate structure
Product Name:3-Benzylphenyl Isocyanate
CAS No:480439-07-4
MF:C14H11NO
MW:209.243243455887
MDL:MFCD04039894
CID:1020201
PubChem ID:4122775
Update Time:2025-04-20

3-Benzylphenyl Isocyanate Chemical and Physical Properties

Names and Identifiers

    • 3'-BENZYLPHENYL ISOCYANATE 97
    • 1-benzyl-3-isocyanatobenzene
    • 3-Benzylphenyl isocyanate
    • 3'-Isocyanatodiphenylmethane
    • 3-Benzylphenyl isocyanate, 97%
    • 3'-benzylphenylisocyanate
    • 480439-07-4
    • 3'-BENZYLPHENYL ISOCYANATE 97
    • OUMFOCWUDYJGHI-UHFFFAOYSA-N
    • 3-Benzylphenyl isocyanate,97%
    • EN300-321880
    • DTXSID00399562
    • SCHEMBL1191679
    • 3-Benzylphenyl Isocyanate
    • MDL: MFCD04039894
    • Inchi: 1S/C14H11NO/c16-11-15-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9H2
    • InChI Key: OUMFOCWUDYJGHI-UHFFFAOYSA-N
    • SMILES: O=C=NC1=CC=CC(=C1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 209.08400
  • Monoisotopic Mass: 209.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 252
  • 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: 4.6
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Density: 1.106?g/mL?at 25?°C(lit.)
  • Boiling Point: 324.1°C at 760 mmHg
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.5880(lit.)
  • PSA: 29.43000
  • LogP: 3.24470

3-Benzylphenyl Isocyanate Security Information

3-Benzylphenyl 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%

3-Benzylphenyl Isocyanate Pricemore >>

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