Tert-butyl 4-iodopyrazole-1-carboxylate
Catalog No: FT-0600141
CAS No: 121669-70-3
- Molecular Formula: 294.09
- Formula Weight: C8H11IN2O2
- Inchl Key: WRCRIGRVTPLDDD-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 294.09000 |
| Density: | N/A |
| CAS: | 121669-70-3 |
| Bolling_Point: | N/A |
| Product_Name: | tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate |
| Melting_Point: | 67-70℃ |
| Flash_Point: | N/A |
| MF: | C8H11IN2O2 |
| Computational_Chemistry: | ['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 441 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :203 ', '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'] |
|---|---|
| Molecular_Structure: | ['1. Molar refractive index 5874 ', '2. Molar volume 1724 ', '3. Parachor （902K）4422 ', '4. Surface tension 432 ', '5. Dielectric constant N/A ', '6. Polarizability 2328 ', '7. Single isotope mass 293986513 Da ', '8. Nominal mass 294 Da ', '9. Average mass 2940896 Da'] |
| LogP: | 2.27090 |
| Melting_Point: | 67-70℃ |
| FW: | 294.09000 |
| PSA: | 44.12000 |
| MF: | C8H11IN2O2 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）67-70 ', '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: | 293.98700 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Warning_Statement: | P261-P305 + P351 + P338 |
| Risk_Statements(EU): | 36/37/38 |
| Safety_Statements: | 26-36/37/39 |
| Symbol: | Warning |
| RIDADR: | NONH for all modes of transport |
| HS_Code: | 2933199090 |
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