2-FLUORO-6-[4-(METHYLTHIO)PHENOXY]BENZONITRILE
Catalog No: FT-0612389
CAS No: 148901-52-4
- Chemical Name: 2-FLUORO-6-[4-(METHYLTHIO)PHENOXY]BENZONITRILE
- Molecular Formula: C14H10FNOS
- Molecular Weight: 259.3
- InChI Key: KIJMTRJIUKHLPE-UHFFFAOYSA-N
- InChI: InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,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: | 2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile |
|---|---|
| Flash_Point: | 178.9ºC |
| Melting_Point: | 68 °C |
| FW: | 259.29900 |
| Density: | 1.28g/cm3 |
| CAS: | 148901-52-4 |
| Bolling_Point: | 372.2ºC at 760mmHg |
| MF: | C14H10FNOS |
| Molecular_Structure: | ['1. Molar refractive index 7051 ', '2. Molar volume 201 ', '3. Parachor (902K)5434 ', '4. Surface tension 533 ', '5. Dielectric constant N/A ', '6. Polarizability 2795 ', '7. Single isotope mass 259046712 Da ', '8. Nominal mass 259 Da ', '9. Average mass 2592987 Da'] |
|---|---|
| LogP: | 4.21158 |
| Flash_Point: | 178.9ºC |
| Refractive_Index: | 1.618 |
| FW: | 259.29900 |
| Density: | 1.28g/cm3 |
| Bolling_Point: | 372.2ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 583 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :308 ', '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: | 68 °C |
| PSA: | 58.32000 |
| MF: | C14H10FNOS |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL, 20 ℃ )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)68 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC 10mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºF)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 Unknow'] |
| Vapor_Pressure: | 9.79E-06mmHg at 25°C |
| Exact_Mass: | 259.04700 |
| Hazard_Codes: | Xn:Harmful; |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2930909090 |
| Safety_Statements: | S23-S36/37/39 |
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