4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid (CAS: 82231-52-5) - Chemical Structure and Molecular Formula
4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid (CAS: 82231-52-5) - Chemical Structure Thumbnail

4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid

Catalog No:   FT-0680633

CAS No:   82231-52-5

  • Chemical Name:  4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid
  • Molecular Formula:  C5H5BrN2O2
  • Molecular Weight:  205.01
  • InChI Key:  XIZPNSLYWMMPNI-UHFFFAOYSA-N
  • InChI:  InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 273-276ºC(dec)
CAS: 82231-52-5
MF: C5H5BrN2O2
Flash_Point: 202.3±28.7 °C
Product_Name: 4-bromo-3-methyl-1H-pyrazole-5-carboxylic acid
Density: 1.9±0.1 g/cm3
FW: 205.009
Bolling_Point: 410.8±45.0 °C at 760 mmHg
Refractive_Index: 1.641
Vapor_Pressure: 0.0±1.0 mmHg at 25°C
Flash_Point: 202.3±28.7 °C
LogP: 0.86
Bolling_Point: 410.8±45.0 °C at 760 mmHg
FW: 205.009
PSA: 65.98000
Computational_Chemistry: ['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 66 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :153 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 273-276ºC(dec)
MF: C5H5BrN2O2
Exact_Mass: 203.953430
Molecular_Structure: ['1 . Molar refractive index 3822 ', '2 . Molar volume 1059 ', '3 . Parachor （902K）3112 ', '4 . Surface tension 744 ', '5 . Polarizability 1515']
Density: 1.9±0.1 g/cm3
More_Info: ['1. Melting point（ºC）273~276']
HS_Code: 2933199090

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