4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid
Catalog No: FT-0680633
CAS No: 82231-52-5
- Molecular Formula: 205.01
- Formula Weight: C5H5BrN2O2
- Inchl Key: XIZPNSLYWMMPNI-UHFFFAOYSA-N
- Inchl: InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
| Assay | Pack | 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 |
|---|
