3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid
Catalog No: FT-0692056
CAS No: 125464-42-8
- Chemical Name: 3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid
- Molecular Formula: C9H12ClNO3S
- Molecular Weight: 249.72
- InChI Key: JYLNVJYYQQXNEK-UHFFFAOYSA-N
- InChI: InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)
| 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 |
| FW: | 249.714 |
|---|---|
| CAS: | 125464-42-8 |
| Melting_Point: | 310-315 ºC |
| Bolling_Point: | N/A |
| MF: | C9H12ClNO3S |
| Product_Name: | Saclofen |
| Flash_Point: | N/A |
| Density: | 1.437±0.06 g/cm3 |
| FW: | 249.714 |
|---|---|
| MF: | C9H12ClNO3S |
| Water_Solubility: | Slightly soluble (7.5 g/L) (25 ºC) |
| Refractive_Index: | 1.600 |
| Exact_Mass: | 249.022644 |
| PSA: | 88.77000 |
| Computational_Chemistry: | ['1. XlogP :-17 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 888 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :280 ', '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'] |
| Density: | 1.437±0.06 g/cm3 |
| LogP: | 0.03 |
| Melting_Point: | 310-315 ºC |
| Molecular_Structure: | ['1. Molar refractive index 5942 ', '2. Molar volume 1736 ', '3. Parachor （902K）4871 ', '4. Surface tension 618 ', '5. Dielectric constant N/A ', '6. Polarizability 2355 ', '7. Single isotope mass 249022641 Da ', '8. Nominal mass 249 Da ', '9. Average mass 2497145 Da'] |
| More_Info: | ['1 . Appearance White Solid ', '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 NaOH20mg/ml'] |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR: | NONH for all modes of transport |
| WGK_Germany: | 3 |
| HS_Code: | 2921499090 |
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