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CS-W001157 4
Total: USD 88.00

2-Chloro-3,5-dinitrobenzoic acid

  • CAS No. 2497-91-8

  • Cat. No. CS-W012689
  • Purity≥98%
  • MDL No.MFCD00007070

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

2-Chloro-3,5-dinitrobenzoic acid|CS-W012689

Structure of 2497-91-8

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General Information

  • CAS No. 2497-91-8
  • Cat. No. CS-W012689
  • Purity ≥98%
  • MDL No. MFCD00007070
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClN₂O₆
  • Molecular Weight 246.56
  • Synonym(s) 2-chloro-3,5-dinitrobenzoate
  • SMILES ClC1=C(C(O)=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • 2-Chlorobenzoic acid Mesalazine  Impurity|CS-0229161
      118-91-2
    • ~%
    • 2-Chloro-3,5-dinitrobenzoic acid|CS-W012689
      2497-91-8

    References

    • Monatshefte fuer Chemie, , vol. 22, p. 386 DE106510 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 5, p. 147
  • Route2

    References

    • Akhtar, Nahid; Munawar, M. A.; Siddiq, M. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 328
  • Route3

    References

    • DE106510 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 5, p. 147

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   123.58
  • LogP   1.8546
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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