5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
Catalog No: FT-0732800
CAS No: 116153-81-2
- Chemical Name: 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
- Molecular Formula: C8H6N2O3
- Molecular Weight: 178.14
- InChI Key: GKPSFQIKCROJOB-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
| 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 |
| Bolling_Point: | 488ºC at 760mmHg |
|---|---|
| CAS: | 116153-81-2 |
| MF: | C8H6N2O3 |
| Density: | 1.465g/cm3 |
| Melting_Point: | 216-218ºC |
| Product_Name: | 5-(2-furyl)-4h-pyrazole-3-carboxylic acid |
| Flash_Point: | 248.9ºC |
| FW: | 178.14500 |
| MF: | C8H6N2O3 |
|---|---|
| Density: | 1.465g/cm3 |
| Computational_Chemistry: | ['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 791 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :210 ', '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'] |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）216-218 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Exact_Mass: | 178.03800 |
| Vapor_Pressure: | 2.45E-10mmHg at 25°C |
| Flash_Point: | 248.9ºC |
| PSA: | 79.12000 |
| Molecular_Structure: | ['1. Molar refractive index 4259 ', '2. Molar volume 1215 ', '3. Parachor （902K）3504 ', '4. Surface tension 69 ', '5. Dielectric constant N/A ', '6. Polarizability 1688 ', '7. Single isotope mass 178037842 Da ', '8. Nominal mass 178 Da ', '9. Average mass 1781448 Da'] |
| LogP: | 1.36790 |
| Melting_Point: | 216-218ºC |
| Bolling_Point: | 488ºC at 760mmHg |
| FW: | 178.14500 |
| Refractive_Index: | 1.617 |
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