3-BENZOYL-2-THIOPHENECARBOXYLIC ACID
Catalog No: FT-0638901
CAS No: 30006-03-2
- Chemical Name: 3-BENZOYL-2-THIOPHENECARBOXYLIC ACID
- Molecular Formula: C12H8O3S
- Molecular Weight: 232.26 g/mol
- InChI Key: ZKHLBCVFVQJMBT-UHFFFAOYSA-N
- InChI: InChI=1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)
| 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: | 3-benzoylthiophene-2-carboxylic acid |
|---|---|
| Flash_Point: | 90 °C |
| Melting_Point: | 86-89 °C(lit.) |
| FW: | 232.25500 |
| Density: | 1.369 g/cm3 |
| CAS: | 30006-03-2 |
| Bolling_Point: | 206-210 °C(lit.) |
| MF: | C12H8O3S |
| Flash_Point: | 90 °C |
|---|---|
| Refractive_Index: | 1.643 |
| FW: | 232.25500 |
| Density: | 1.369 g/cm3 |
| Bolling_Point: | 206-210 °C(lit.) |
| Computational_Chemistry: | ['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 826 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :284 ', '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'] |
| LogP: | 2.67730 |
| Melting_Point: | 86-89 °C(lit.) |
| PSA: | 82.61000 |
| MF: | C12H8O3S |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '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: | 232.01900 |
| Hazard_Codes: | Xn |
|---|---|
| RTECS: | GW1925000 |
| Risk_Statements(EU): | R22:Harmful if swallowed. |
| HS_Code: | 29280090 |
| WGK_Germany: | 1 |
| Safety_Statements: | S36/37/39 |
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