tert-Butyl 1H-1,2,4-triazole-1-carboxylate
Catalog No: FT-0693978
CAS No: 41864-24-8
- Chemical Name: tert-Butyl 1H-1,2,4-triazole-1-carboxylate
- Molecular Formula: C7H11N3O2
- Molecular Weight: 169.18
- InChI Key: XWUFRDJEUOAMNW-UHFFFAOYSA-N
- InChI: InChI=1S/C7H11N3O2/c1-7(2,3)12-6(11)10-5-8-4-9-10/h4-5H,1-3H3
| 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: | 43-47ºC |
|---|---|
| CAS: | 41864-24-8 |
| MF: | C7H11N3O2 |
| Flash_Point: | 111.0±22.6 °C |
| Product_Name: | tert-Butyl 1H-1,2,4-triazole-1-carboxylate |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 169.181 |
| Bolling_Point: | 259.9±23.0 °C at 760 mmHg |
| Refractive_Index: | 1.533 |
|---|---|
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Flash_Point: | 111.0±22.6 °C |
| LogP: | 0.43 |
| Bolling_Point: | 259.9±23.0 °C at 760 mmHg |
| FW: | 169.181 |
| PSA: | 57.01000 |
| Computational_Chemistry: | ['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 57 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :176 ', '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: | 43-47ºC |
| MF: | C7H11N3O2 |
| Exact_Mass: | 169.085129 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)43-47 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,035mm hg)35 ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(ºC)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)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'] |
| Safety_Statements: | S22-S24/25 |
|---|---|
| HS_Code: | 2933990090 |
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