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CS-W001157 4
Total: USD 88.00

2,4,6-Trimethylbenzenesulfonic acid

  • CAS No. 3453-83-6

  • Cat. No. CS-W015609
  • Purity≥95%
  • MDL No.MFCD00007482

*For research and further manufacturing use only, not for direct human use.

2,4,6-Trimethylbenzenesulfonic acid|CS-W015609

Structure of 3453-83-6

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General Information

  • CAS No. 3453-83-6
  • Cat. No. CS-W015609
  • Purity ≥95%
  • MDL No. MFCD00007482
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₃S
  • Molecular Weight 200.25
  • Synonym(s) Mesitylenesulphonic acid dihydrate
  • SMILES O=S(C1=C(C)C=C(C)C=C1C)(O)=O

Synthesis

  • Route1
    • null|null
      108-67-8
    • ~74%
    • 2,4,6-Trimethylbenzenesulfonic acid|CS-W015609
      3453-83-6

    References

    • Hajipour, Abdol R.; Mirjalili, Bi Bi F.; Zarei, Amin; Khazdooz, Leila; Ruoho Tetrahedron Letters, 2004 , vol. 45, # 35 p. 6607 - 6609
  • Route2
    • null|null
      81292-92-4
    • ~97%
    • 2,4,6-Trimethylbenzenesulfonic acid|CS-W015609
      3453-83-6

    References

    • Hofmann, Karin; Simchen, Gerhard Liebigs Annalen der Chemie, 1982 , # 2 p. 282 - 297
  • Route3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 25, # 4.2 p. 727 - 730 Zhurnal Organicheskoi Khimii, , vol. 25, # 4 p. 810 - 814

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.85856
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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