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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(1H-pyrazol-1-yl)benzoic acid

  • CAS No. 313674-12-3

  • Cat. No. CS-0148498
  • Purity≥98%
  • MDL No.MFCD03425733

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

2-Chloro-4-(1H-pyrazol-1-yl)benzoic acid|CS-0148498

Structure of 313674-12-3

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General Information

  • CAS No. 313674-12-3
  • Cat. No. CS-0148498
  • Purity ≥98%
  • MDL No. MFCD03425733
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₂
  • Molecular Weight 222.63
  • Synonym(s) 2-Chloro-4-(1H-pyrazol-1-yl)benzenecarboxylic acid
  • SMILES O=C(O)C1=CC=C(N2N=CC=C2)C=C1Cl

Synthesis

  • Route1
    • Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate|CS-0556721
      313674-09-8
    • ~99%
    • In-stock
      2-Chloro-4-(1H-pyrazol-1-yl)benzoic acid|CS-0148498
      313674-12-3

    References

    • Kondo; Ogawa; Shinohara; Kurimura; Tanada; Kan; Yamashita; Nakamura; Hirano; Yamamura; Mori; Tominaga; Itai Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4388 - 4397
  • Route2

    References

    • Kondo; Ogawa; Shinohara; Kurimura; Tanada; Kan; Yamashita; Nakamura; Hirano; Yamamura; Mori; Tominaga; Itai Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4388 - 4397

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-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.2239
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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