Cas no 88-91-5 (4-Chloro-3,5-dinitrobenzenesulfonic acid)

4-Chloro-3,5-dinitrobenzenesulfonic acid is a sulfonated aromatic compound featuring both chloro and nitro functional groups, which impart high reactivity and versatility in organic synthesis. Its electron-withdrawing substituents enhance its utility as an intermediate in the preparation of dyes, pharmaceuticals, and agrochemicals. The compound's sulfonic acid group improves solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. Its stability under acidic conditions and compatibility with electrophilic substitution reactions make it valuable for derivatization and further functionalization. The presence of multiple nitro groups also allows for selective reduction or displacement, enabling tailored modifications for specialized applications. This compound is particularly useful in fine chemical synthesis and research requiring precise control over molecular architecture.
4-Chloro-3,5-dinitrobenzenesulfonic acid structure
88-91-5 structure
Product Name:4-Chloro-3,5-dinitrobenzenesulfonic acid
CAS No:88-91-5
MF:C6H3ClN2O7S
MW:282.61521935463
CID:34488
PubChem ID:66627
Update Time:2025-06-07

4-Chloro-3,5-dinitrobenzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3,5-dinitrobenzenesulfonic acid
    • 3,5-Dinitro-4-chlorobenzenesulfonic acid
    • 4-Chlor-3,5-dinitro-benzolsulfonsaeure
    • 4-Chlor-3.5-dinitro-benzol-sulfonsaeure-(1)
    • 4-Chlor-3.5-dinitro-phenylsulfonsaeure
    • 4-chloro-3,5-dinitro-benzenesulfonic acid
    • AKOS016009759
    • A19271
    • SCHEMBL5369611
    • NSC-148
    • Benzenesulfonic acid, 4-chloro-3,5-dinitro-
    • NSC 148
    • UNII-AK9LU4C389
    • Benzenesulfonic acid,4-chloro-3,5-dinitro-
    • AK9LU4C389
    • 3,5-Dinitro-4-chlorobenzenesulfonic acidanion
    • 88-91-5
    • 4-chlor-3,5-dinitrobenzensulfonsyre
    • 4-Chloro-3,5-dinitrobenzenesulphonic acid
    • CS-0330703
    • DTXSID90236750
    • EINECS 201-868-5
    • 4-Chloro-3,5-dinitrobenzenesulfonicacid
    • FT-0631422
    • Benzenesulphonic acid, 4-chloro-3,5-dinitro-
    • NSC148
    • NS00039297
    • DB-057110
    • 201-868-5
    • Benzenesulfonic acid, 4-chloro-3,5-dinitro-(8CI)(9CI)
    • Benzenesulfonic acid, 4-chloro-3,5-dinitro-(8CI)
    • ALVPDCHBQRCKRQ-UHFFFAOYSA-N
    • DTXCID20159241
    • MDL： MFCD00024949
    • Inchi： 1S/C6H3ClN2O7S/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13/h1-2H,(H,14,15,16)
    • InChI Key： ALVPDCHBQRCKRQ-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 281.93500
  • Monoisotopic Mass: 281.9349493g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 397
  • 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: nothing
  • Topological Polar Surface Area: 154?2

Experimental Properties

  • Density: 1.9±0.1 g/cm3
  • PSA: 154.39000
  • LogP: 3.53030

4-Chloro-3,5-dinitrobenzenesulfonic acid Security Information

4-Chloro-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%

4-Chloro-3,5-dinitrobenzenesulfonic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C077790-250mg
4-Chloro-3,5-dinitrobenzenesulfonic acid
 88-91-5
250mg
 $ 295.00 2022-06-06
TRC
C077790-500mg
4-Chloro-3,5-dinitrobenzenesulfonic acid
 88-91-5
500mg
 $ 490.00 2022-06-06

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