Cas no 141113-98-6 (4-Bromo-toluene-3-sulfonic acid sodium salt)

4-Bromo-toluene-3-sulfonic acid sodium salt structure
141113-98-6 structure
Product Name:4-Bromo-toluene-3-sulfonic acid sodium salt
CAS No:141113-98-6
MF:C7H6BrClO2S
MW:269.543339252472
MDL:MFCD07783823
CID:1026787
PubChem ID:15155338
Update Time:2025-04-20

4-Bromo-toluene-3-sulfonic acid sodium salt Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-methylbenzene-1-sulfonyl chloride
    • 2-Bromo-5-methylbenzenesulfonyl chloride
    • SCHEMBL7647234
    • ZFCDMNSVQJUZTG-UHFFFAOYSA-N
    • 141113-98-6
    • DTXSID50569253
    • AKOS005363086
    • MFCD07783823
    • 4-BROMO-TOLUENE-3-SULFONYL CHLORIDE
    • Benzenesulfonyl chloride, 2-bromo-5-methyl-
    • CS-0217559
    • AS-43913
    • DB-027870
    • 2-Bromo-5-methylbenzene-1-sulfonylchloride
    • 2-Bromo-5-methyl-benzenesulfonyl chloride
    • EN300-77416
    • 4-Bromo-toluene-3-sulfonic acid sodium salt
    • MDL: MFCD07783823
    • Inchi: 1S/C7H6BrClO2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3
    • InChI Key: ZFCDMNSVQJUZTG-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C)C=C1S(=O)(=O)Cl

Computed Properties

  • Exact Mass: 267.89608
  • Monoisotopic Mass: 267.89604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 247
  • 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: 3
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14

4-Bromo-toluene-3-sulfonic acid sodium salt Pricemore >>

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