3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE
Catalog No: FT-0642747
CAS No: 112440-49-0
- Chemical Name: 3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE
- Molecular Formula: C9H11NS
- Molecular Weight: 165.26
- InChI Key: GVRRCQCZKOPGDZ-UHFFFAOYSA-N
- InChI: InChI=1S/C9H11NS/c1-6-7(2)11-8(3)9(6)4-5-10/h4H2,1-3H3
| 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-(2,4,5-Trimethylthiophen-3-yl)acetonitrile |
|---|---|
| Flash_Point: | 123.7ºC |
| Melting_Point: | 66ºC |
| FW: | 165.25500 |
| Density: | 1.073g/cm3 |
| CAS: | 112440-49-0 |
| Bolling_Point: | 130ºC 0,7mm |
| MF: | C9H11NS |
| Molecular_Structure: | ['1. Molar refractive index 4857 ', '2. Molar volume 1539 ', '3. Parachor （902K）3882 ', '4. Surface tension 404 ', '5. Dielectric constant N/A ', '6. Polarizability 1925 ', '7. Single isotope mass 165061219 Da ', '8. Nominal mass 165 Da ', '9. Average mass 1652553 Da'] |
|---|---|
| LogP: | 2.73938 |
| Flash_Point: | 123.7ºC |
| Refractive_Index: | 1.543 |
| FW: | 165.25500 |
| Density: | 1.073g/cm3 |
| Bolling_Point: | 130ºC 0,7mm |
| Computational_Chemistry: | ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 52 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '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: | 66ºC |
| PSA: | 52.03000 |
| MF: | C9H11NS |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）66 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，07mmHg）130 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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: | 0.00369mmHg at 25°C |
| Exact_Mass: | 165.06100 |
| RIDADR: | UN 3439 |
|---|---|
| Risk_Statements(EU): | 20/21/22-36/37/38 |
| HS_Code: | 2934999090 |
| Safety_Statements: | 26-36/37/39 |
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