3-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Catalog No: FT-0613812
CAS No: 51333-80-3
- Molecular Formula: 181.3
- Formula Weight: C8H7NS2
- Inchl Key: IHKAGFVCXPFGRP-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | 3-(methylthio)phenyl isothiocyanate |
|---|---|
| Bolling_Point: | 306-307 °C(lit.) |
| Density: | 1.211 g/mL at 25 °C(lit.) |
| MF: | C8H7NS2 |
| CAS: | 51333-80-3 |
| Melting_Point: | N/A |
| Flash_Point: | >230 °F |
| FW: | 181.27800 |
| MF: | C8H7NS2 |
|---|---|
| Bolling_Point: | 306-307 °C(lit.) |
| Exact_Mass: | 181.00200 |
| More_Info: | ['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃）1211 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）306-307 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1393 ', '8 . Flash point（ºC）>113 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| PSA: | 69.75000 |
| Flash_Point: | >230 °F |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 698 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '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'] |
| Density: | 1.211 g/mL at 25 °C(lit.) |
| Molecular_Structure: | ['1 . Molar refractive index 5486 ', '2 . Molar volume 1597 ', '3 . Parachor （902K）3989 ', '4 . Surface tension 389 ', '5 . Polarizability 2175 ', '6 . Dielectric constant 未确定'] |
| FW: | 181.27800 |
| LogP: | 3.14280 |
| Refractive_Index: | n20/D >1.3930(lit.) |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
|---|---|
| Hazard_Codes: | Xn,T |
| HS_Code: | 2930909090 |
| Hazard_Class: | 6.1 |
| Packing_Group: | III |
| WGK_Germany: | 3 |
| Safety_Statements: | S23-S26-S36 |
| RIDADR: | 2810 |
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