Cas no 42066-86-4 (2-Cyanophenyl Isocyanate)

2-Cyanophenyl Isocyanate structure
2-Cyanophenyl Isocyanate structure
Product Name:2-Cyanophenyl Isocyanate
CAS No:42066-86-4
MF:C8H4N2O
MW:144.1301612854
MDL:MFCD00829130
CID:331498
PubChem ID:2735873
Update Time:2025-04-19

2-Cyanophenyl Isocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,2-isocyanato-
    • 2-CYANOPHENYL ISOCYANATE
    • 2-Isocyanatobenzonitrile
    • 1-cyano-2-isocyanatobenzene
    • 2-Cyan-phenylisocyanat
    • 2-isocyanatobenzenecarbonitrile
    • 2-Isocyanato-benzonitril
    • 2-Isocyanato-benzonitrile
    • Benzonitrile,2-isocyanato
    • o-Cyanophenyl isocyanate
    • BS-28003
    • FT-0612695
    • AKOS000122289
    • 42066-86-4
    • FQLNVWAFXQUXGW-UHFFFAOYSA-N
    • DTXSID60370993
    • SCHEMBL136118
    • MFCD00829130
    • AM20040444
    • A825747
    • J-509743
    • Benzonitrile, 2-isocyanato-
    • EN300-01257
    • 2-Isocyanatobenzenecarbonitrile;
    • DB-006099
    • 2-CYANOPHENylisoCYANATE
    • 2-Cyanophenyl Isocyanate
    • MDL： MFCD00829130
    • Inchi： 1S/C8H4N2O/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H
    • InChI Key： FQLNVWAFXQUXGW-UHFFFAOYSA-N
    • SMILES： O=C=NC1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 144.03200
  • Monoisotopic Mass: 144.032362755g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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
  • XLogP3: 2.4
  • Topological Polar Surface Area: 53.2?2

Experimental Properties

  • Density: 1.09±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 61-62 oC
  • Boiling Point: 124-125 oC (13 Torr)
  • Flash Point: 114.8±22.6 oC,
  • Solubility: Very slightly soluble (0.49 g/l) (25 o C),
  • PSA: 53.22000
  • LogP: 1.52558

2-Cyanophenyl Isocyanate Security Information

  • Hazard Statement： Irritant
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： Xi Xn
  • Risk Phrases：R20/21/22; R36/37/38

2-Cyanophenyl 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%

2-Cyanophenyl Isocyanate Pricemore >>

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2-Cyanophenyl Isocyanate Production Method

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