2-(Methylsulfinyl)benzenecarboxylic acid
Catalog No: FT-0680454
CAS No: 19093-34-6
- Chemical Name: 2-(Methylsulfinyl)benzenecarboxylic acid
- Molecular Formula: C8H8O3S
- Molecular Weight: 184.21
- InChI Key: JVYFTEBQXOBPAB-UHFFFAOYSA-N
- InChI: InChI=1S/C8H8O3S/c1-12(11)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: | 166-170ºC |
|---|---|
| CAS: | 19093-34-6 |
| MF: | C8H8O3S |
| Flash_Point: | 201ºC |
| Product_Name: | 2-methylsulfinylbenzoic acid |
| Density: | 1.44g/cm3 |
| FW: | 184.21200 |
| Bolling_Point: | 408.7ºC at 760mmHg |
| Refractive_Index: | 1.648 |
|---|---|
| Vapor_Pressure: | 2.06E-07mmHg at 25°C |
| Flash_Point: | 201ºC |
| LogP: | 1.98790 |
| Bolling_Point: | 408.7ºC at 760mmHg |
| PSA: | 73.58000 |
| Molecular_Structure: | ['1 . Molar refractive index 4652 ', '2 . Molar volume （m3/mol）1278 ', '3 . Parachor （902K）3771 ', '4 . Surface tension 758 ', '5 . Polarizability 1844'] |
| Computational_Chemistry: | ['1. XlogP :06 ', '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 736 ', '7. Heavy Atom Count :12 ', '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 :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 166-170ºC |
| MF: | C8H8O3S |
| Exact_Mass: | 184.01900 |
| FW: | 184.21200 |
| Density: | 1.44g/cm3 |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）166-170 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
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