1-methyl-5-nitropyrazole-4-carboxylic acid
Catalog No: FT-0724152
CAS No: 18213-77-9
- Chemical Name: 1-methyl-5-nitropyrazole-4-carboxylic acid
- Molecular Formula: C5H5N3O4
- Molecular Weight: 171.11
- InChI Key: XLSBYMROSSRRAV-UHFFFAOYSA-N
- InChI: InChI=1S/C5H5N3O4/c1-7-4(8(11)12)3(2-6-7)5(9)10/h2H,1H3,(H,9,10)
| 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 |
| Product_Name: | 1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID |
|---|---|
| MF: | C5H5N3O4 |
| Bolling_Point: | 399ºC at 760mmHg |
| Density: | 1.72g/cm3 |
| FW: | 171.11100 |
| Melting_Point: | N/A |
| Flash_Point: | 195.1ºC |
| CAS: | 18213-77-9 |
| Flash_Point: | 195.1ºC |
|---|---|
| MF: | C5H5N3O4 |
| Refractive_Index: | 1.675 |
| LogP: | 0.54970 |
| PSA: | 100.94000 |
| Bolling_Point: | 399ºC at 760mmHg |
| Density: | 1.72g/cm3 |
| Exact_Mass: | 171.02800 |
| FW: | 171.11100 |
| Computational_Chemistry: | ['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA :101 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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'] |
| Vapor_Pressure: | 4.39E-07mmHg at 25°C |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| HS_Code: | 2933199090 |
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