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CS-W001157 4
Total: USD 88.00

4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 6647-98-9

  • Cat. No. CS-0041434
  • Purity≥96%
  • MDL No.MFCD00465278

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

4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0041434

Structure of 6647-98-9

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General Information

  • CAS No. 6647-98-9
  • Cat. No. CS-0041434
  • Purity ≥96%
  • MDL No. MFCD00465278
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅IN₂O₂
  • Molecular Weight 252.01
  • Synonym(s) 4-Iod-1-methyl-pyrazol-3-carbonsaeure
  • SMILES CN1C=C(I)C(=N1)C(O)=O

Synthesis

  • Route1

    References

    • Vasilevskii, S. F.; Shvartsberg, M. S. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1980 , vol. 29, # 5 p. 778 - 784 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1980 , # 5 p. 1071 - 1077
  • Route2

    References

    • Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.7229
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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