Cas no 948-31-2 (2-Methyl-3,5-dinitrobenzonitrile)

2-Methyl-3,5-dinitrobenzonitrile structure
948-31-2 structure
Product Name:2-Methyl-3,5-dinitrobenzonitrile
CAS No:948-31-2
MF:C8H5N3O4
MW:207.143001317978
MDL:MFCD00458632
CID:797370
PubChem ID:23009745
Update Time:2025-04-19

2-Methyl-3,5-dinitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3,5-dinitrobenzonitrile
    • Benzonitrile,2-methyl-3,5-dinitro-
    • 2-Cyano-4,6-dinitro-1-methylbenzene
    • 2-methyl-3,5-dinitrobenzenecarbonitrile
    • 2-Methyl-3,5-dinitro-benzonitril
    • 3,5-Dinitro-2-methyl-benzonitril
    • 3,5-Dinitro-o-tolunitril
    • 3,5-Dinitro-o-tolunitrile
    • CS-0335947
    • SCHEMBL11443460
    • AKOS004120772
    • Dinitolmide Impurity E
    • DTXSID50629765
    • 948-31-2
    • MDL: MFCD00458632
    • Inchi: 1S/C8H5N3O4/c1-5-6(4-9)2-7(10(12)13)3-8(5)11(14)15/h2-3H,1H3
    • InChI Key: FJPAWDYXHVKZRC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=C(C#N)C=1C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 207.02800
  • Monoisotopic Mass: 207.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 323
  • 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: 1.5
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 326.2±42.0 °C at 760 mmHg
  • Flash Point: 151.1±27.9 °C
  • PSA: 115.43000
  • LogP: 2.72948
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-Methyl-3,5-dinitrobenzonitrile Security Information

2-Methyl-3,5-dinitrobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Methyl-3,5-dinitrobenzonitrile Pricemore >>

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