4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
Catalog No: FT-0619116
CAS No: 71236-96-9
- Chemical Name: 4-METHYLTHIO-3-NITROBENZOTRIFLUORIDE
- Molecular Formula: C8H6F3NO2S
- Molecular Weight: 237.2 g/mol
- InChI Key: OEOKNZHWNVTEMR-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6F3NO2S/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,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: | 1-methylsulfanyl-2-nitro-4-(trifluoromethyl)benzene |
|---|---|
| Flash_Point: | 108.8ºC |
| Melting_Point: | 94ºC |
| FW: | 237.19900 |
| Density: | 1.44g/cm3 |
| CAS: | 71236-96-9 |
| Bolling_Point: | 256.2ºC at 760 mmHg |
| MF: | C8H6F3NO2S |
| Molecular_Structure: | ['1 . Molar refractive index 5041 ', '2 . Molar volume （m3/mol）1644 ', '3 . Parachor （902K）4151 ', '4 . Surface tension 405 ', '5 . Polarizability 1998'] |
|---|---|
| LogP: | 3.85870 |
| Flash_Point: | 108.8ºC |
| Refractive_Index: | 1.525 |
| FW: | 237.19900 |
| Density: | 1.44g/cm3 |
| Bolling_Point: | 256.2ºC at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 711 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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: | 94ºC |
| PSA: | 71.12000 |
| MF: | C8H6F3NO2S |
| More_Info: | ['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃）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,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 。'] |
| Exact_Mass: | 237.00700 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2930909090 |
| Safety_Statements: | 26-36/37/39 |
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