2-(Methylsulfonyl)benzenecarboxylic acid
Catalog No: FT-0676480
CAS No: 33963-55-2
- Chemical Name: 2-(Methylsulfonyl)benzenecarboxylic acid
- Molecular Formula: C8H8O4S
- Molecular Weight: 200.21
- InChI Key: BZSXEZOLBIJVQK-UHFFFAOYSA-N
- InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,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 |
| Melting_Point: | 136-141 °C |
|---|---|
| CAS: | 33963-55-2 |
| MF: | C8H8O4S |
| Flash_Point: | 218.6±26.5 °C |
| Product_Name: | 4-Methylsulfonyl benzoic acid |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 200.212 |
| Bolling_Point: | 437.8±37.0 °C at 760 mmHg |
| Refractive_Index: | 1.560 |
|---|---|
| Vapor_Pressure: | 0.0±1.1 mmHg at 25°C |
| Flash_Point: | 218.6±26.5 °C |
| LogP: | 0.18 |
| Bolling_Point: | 437.8±37.0 °C at 760 mmHg |
| FW: | 200.212 |
| PSA: | 79.82000 |
| Computational_Chemistry: | ['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 798 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :288 ', '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: | 136-141 °C |
| MF: | C8H8O4S |
| Exact_Mass: | 200.014328 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White to 亮Yellow 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)136-141 ', '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 微Soluble in Water '] |
| Safety_Statements: | S37/39-S26 |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2916399090 |
| Risk_Statements(EU): | R36/37/38 |
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