Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate
Catalog No: FT-0626075
CAS No: 720-01-4
- Chemical Name: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate
- Molecular Formula: C8H6ClF3N2O2
- Molecular Weight: 254.59
- InChI Key: DSULCDCBENGHAX-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(8(10,11)12)14-5(4)9/h3H,2H2,1H3
| 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: | Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate |
|---|---|
| Flash_Point: | 93.3±27.3 °C |
| Melting_Point: | 36 °C |
| FW: | 254.594 |
| Density: | 1.4±0.1 g/cm3 |
| CAS: | 720-01-4 |
| Bolling_Point: | 230.6±40.0 °C at 760 mmHg |
| MF: | C8H6ClF3N2O2 |
| Molecular_Structure: | ['1 . Molar refractive index 4871 ', '2 . Molar volume (m3/mol)1757 ', '3 . Parachor (902K)4332 ', '4 . Surface tension 369 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1931'] |
|---|---|
| LogP: | 1.51 |
| Flash_Point: | 93.3±27.3 °C |
| Refractive_Index: | 1.466 |
| FW: | 254.594 |
| Density: | 1.4±0.1 g/cm3 |
| Bolling_Point: | 230.6±40.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 521 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :262 ', '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: | 36 °C |
| PSA: | 52.08000 |
| MF: | C8H6ClF3N2O2 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)145 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)36-37 ', '5 . Boiling point(ºC,Atmospheric pressure)95 ', '6 . Boiling point(ºC,52kPa)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(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'] |
| Vapor_Pressure: | 0.1±0.5 mmHg at 25°C |
| Exact_Mass: | 254.006989 |
| Hazard_Codes: | Xi:Irritant; |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2933599090 |
| Safety_Statements: | S26-S36/37/39-S37/39 |
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