Cas no 133-62-0 (2-Methyl-3,5-dinitrobenzenesulfonic acid)

2-Methyl-3,5-dinitrobenzenesulfonic acid structure
133-62-0 structure
Product Name:2-Methyl-3,5-dinitrobenzenesulfonic acid
CAS No:133-62-0
MF:C7H6N2O7S
MW:262.196740627289
CID:117294
PubChem ID:412049
Update Time:2025-04-18

2-Methyl-3,5-dinitrobenzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3,5-dinitrobenzenesulfonic acid
    • 2,4-DINITROTOLUENE-6-SULFONIC ACID
    • Benzenesulfonic acid,2-methyl-3,5-dinitro-
    • 2,4-DIBROMO-6-FLUOROBENZOYL CHLORIDE
    • 2,4-Dinitrotoluol-6-sulfonsaeure
    • 3,5-Dinitro-o-toluenesulfonic acid
    • 3.5-Dinitro-o-toluolsulfonsaeure
    • 4,6-dinitro-toluene-2-sulfonic acid
    • 4,6-Dinitro-toluol-2-sulfonsaeure
    • Benzenesulfonic acid,2-methyl-3,5-dinitro
    • C.I.53030
    • Thionone Brown RO
    • C.I.Sulphur Brown 42
    • 4,6-Dinitrotoluene-2-sulfonic acid
    • 2-Methyl-3,5-dinitrobenzenesulfonic acid 3,5-Dinitro-o-toluenesulfonic acid
    • 2-mercapto-butyric acid ethyl ester
    • AKOS015909117
    • SCHEMBL10623913
    • FT-0610218
    • DTXSID90927893
    • 2-Methyl-3,5-dinitrobenzene-1-sulfonic acid
    • 133-62-0
    • Inchi: 1S/C7H6N2O7S/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16/h2-3H,1H3,(H,14,15,16)
    • InChI Key: KFHPDUJFQBXXQY-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=C(C=1C)[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)O

Computed Properties

  • Exact Mass: 261.99000
  • Monoisotopic Mass: 261.98957171g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 417
  • 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: 0.7
  • Topological Polar Surface Area: 154?2

Experimental Properties

  • PSA: 154.39000
  • LogP: 3.18530

2-Methyl-3,5-dinitrobenzenesulfonic acid Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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