Cas no 38484-94-5 (2,5-Dichlorobenzenesulfonic Acid Dihydrate)

2,5-Dichlorobenzenesulfonic Acid Dihydrate is a crystalline organic compound primarily used as an intermediate in chemical synthesis, particularly in the production of dyes, pharmaceuticals, and agrochemicals. Its dihydrate form ensures improved stability and handling compared to anhydrous variants. The compound’s sulfonic acid group enhances solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. The dichloro substitution pattern offers selective reactivity, making it valuable for regioselective transformations. With a well-defined structure and consistent purity, it is suitable for precision applications in research and industrial processes. Proper storage under dry conditions is recommended to maintain its hydrated form and prevent decomposition.
2,5-Dichlorobenzenesulfonic Acid Dihydrate structure
38484-94-5 structure
Product Name:2,5-Dichlorobenzenesulfonic Acid Dihydrate
CAS No:38484-94-5
MF:C6H8Cl2O5S
MW:263.095719337463
MDL:MFCD08271971
CID:89307
PubChem ID:21114734
Update Time:2025-06-07

2,5-Dichlorobenzenesulfonic Acid Dihydrate Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dichlorobenzenesulfonic acid dihydrate
    • 2,4-DICHLOROTOLUENE,CERTIFIED REFERENCE MATERIAL
    • AK306547
    • 2,5-Dichlorobenzene-1-sulfonic acid--water (1/2)
    • 2,5-DichlorobenzenesulfonicAcidDihydrate
    • D83196
    • CS-0157092
    • 38484-94-5
    • C6H8Cl2O5S
    • SCHEMBL4158597
    • 2,5-dichlorobenzenesulfonic acid;dihydrate
    • AKOS027320274
    • DTXSID40610864
    • DS-12265
    • DB-226845
    • 2,5-Dichlorobenzenesulfonic Acid Dihydrate
    • MDL: MFCD08271971
    • Inchi: 1S/C6H4Cl2O3S.2H2O/c7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1-3H,(H,9,10,11);2*1H2
    • InChI Key: VPJICTWHRNQYRG-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1S(=O)(=O)O)Cl.O.O

Computed Properties

  • Exact Mass: 261.94700
  • Monoisotopic Mass: 261.9469499g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 64.8

Experimental Properties

  • Melting Point: 98-102°C
  • PSA: 81.21000
  • LogP: 3.19230

2,5-Dichlorobenzenesulfonic Acid Dihydrate Security Information

  • Signal Word:Danger
  • Hazard Statement: H302-H314
  • Warning Statement: P261-P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN2585
  • Packing Group:III
  • Packing Group:III
  • HazardClass:8
  • PackingGroup:
  • TSCA:Yes
  • Storage Condition:Sealed in dry,Room Temperature(BD434097)

2,5-Dichlorobenzenesulfonic Acid Dihydrate Pricemore >>

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