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CS-W001157 4
Total: USD 88.00

3-(Tert-butyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 685513-51-3

  • Cat. No. CS-0331361
  • Molecule weight216.66
  • Purity≥98%
  • MDL No.None

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

3-(Tert-butyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0331361

Structure of 685513-51-3

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General Information

  • CAS No. 685513-51-3
  • Cat. No. CS-0331361
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃ClN₂O₂
  • Molecular Weight 216.66
  • Synonym(s) 5-tert-Butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid
  • SMILES CC(C)(C)C1=NN(C)C(=C1Cl)C(=O)O

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.0692
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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