Cas no 121-04-0 (1,3-Benzenedisulfonicacid, 4-methyl-)

1,3-Benzenedisulfonicacid, 4-methyl- structure
121-04-0 structure
Product Name:1,3-Benzenedisulfonicacid, 4-methyl-
CAS No:121-04-0
MF:C7H8O6S2
MW:252.264820098877
CID:215731
PubChem ID:67129
Update Time:2025-04-19

1,3-Benzenedisulfonicacid, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedisulfonicacid, 4-methyl-
    • toluene-2,4-disulphonic acid
    • 1,3-Benzenesulfonic acid, 4-methyl-
    • 4-methylbenzene-1,3-disulfonic acid
    • 4-Methyl-1,3-benzenedisulfonic acid
    • toluenedisulfonic acid
    • 121-04-0
    • NS00023946
    • E463GM9TD8
    • 1,3-Benzenedisulfonic acid, 4-methyl-
    • SCHEMBL153280
    • 4-METHYL-1,3-BENZENEDISULPHONIC ACID
    • 4-METHYLBENZENE-1,3-DISULPHONIC ACID
    • EINECS 204-446-9
    • 1,3-BENZENEDISULPHONIC ACID, 4-METHYL-
    • toluene-2,4-disulfonic acid
    • UNII-E463GM9TD8
    • DTXSID7059517
    • Inchi： 1S/C7H8O6S2/c1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
    • InChI Key： LTYBYSFEGHYUDB-UHFFFAOYSA-N
    • SMILES： S(C1C=C(C=CC=1C)S(=O)(=O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 251.97600
  • Monoisotopic Mass: 251.976229
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 411
  • 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
  • Topological Polar Surface Area: 126
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.667
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.604
  • PSA: 125.50000
  • LogP: 2.65000

1,3-Benzenedisulfonicacid, 4-methyl- Customs Data

  • HS CODE：2904100000
  • Customs Data：

    China Customs Code:

    2904100000

    Overview:

    2904100000 Derivatives containing only sulfo groups and their salts and ethyl esters.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2904100000 derivatives containing only sulpho groups, their salts and ethyl esters.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

1,3-Benzenedisulfonicacid, 4-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Fuming sulfuric acid Solvents: Water ;  20 °C
Reference
The mixing sensitivity of toluene and ethylbenzene sulfonation using fuming sulfuric acid studied in a rotor-stator spinning disc reactor
van Kouwen, E. R. ; et al, Chemical Engineering and Processing, 2021, 160,

1,3-Benzenedisulfonicacid, 4-methyl- Preparation Products

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