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Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

8-Chloro caffeine

  • CAS No. 4921-49-7

  • Cat. No. CS-0239431
  • Molecule weight228.64
  • Purity≥98%
  • MDL No.MFCD00047246

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

8-Chloro caffeine|CS-0239431

Structure of 4921-49-7

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General Information

  • CAS No. 4921-49-7
  • Cat. No. CS-0239431
  • Purity ≥98%
  • MDL No. MFCD00047246
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₄O₂
  • Molecular Weight 228.64
  • Synonym(s) None
  • SMILES O=C1C2=C(N(C)C(N1C)=O)N=C(N2C)Cl

Description

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standardsThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Synthesis

  • Route1
    • null|null
      58-08-2
    • ~99%
    • 8-Chloro caffeine|CS-0239431
      4921-49-7

    References

    • Strydom, Belinda; Malan, Sarel F.; Castagnoli Jr., Neal; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 3 p. 1018 - 1028
  • Route2
    • 8-Chlorotheophylline|CS-W014919
      85-18-7
    • null|null
      74-88-4
    • ~99%
    • 8-Chloro caffeine|CS-0239431
      4921-49-7

    References

    • Doege, Ulrica; Eger Pharmazie, 2007 , vol. 62, # 3 p. 174 - 178
  • Route3
    • null|null
      6937-66-2
    • ~90%
    • 8-Chloro caffeine|CS-0239431
      4921-49-7

    References

    • Skulski, Lech; Wroczynski, Piotr Polish Journal of Chemistry, 1982 , vol. 56, # 7/8/9 p. 975 - 982

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.82
  • LogP   -0.3759
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   0

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