2-IODOPHENYL ISOTHIOCYANATE
Catalog No: FT-0612678
CAS No: 98041-44-2
- Chemical Name: 2-IODOPHENYL ISOTHIOCYANATE
- Molecular Formula: C7H4INS
- Molecular Weight: 261.08
- InChI Key: ODOTYLQYSDVPMA-UHFFFAOYSA-N
- InChI: InChI=1S/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
| 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 |
| Melting_Point: | 35-39 °C(lit.) |
|---|---|
| CAS: | 98041-44-2 |
| MF: | C7H4INS |
| Flash_Point: | >230 °F |
| Product_Name: | 1-iodo-2-isothiocyanatobenzene |
| Density: | 1.76g/cm3 |
| FW: | 261.08300 |
| Bolling_Point: | 304.2ºC at 760mmHg |
| Refractive_Index: | 1.672 |
|---|---|
| Flash_Point: | >230 °F |
| LogP: | 3.02550 |
| Bolling_Point: | 304.2ºC at 760mmHg |
| FW: | 261.08300 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :4 ', '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 444 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :154 ', '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: | 35-39 °C(lit.) |
| MF: | C7H4INS |
| Exact_Mass: | 260.91100 |
| Density: | 1.76g/cm3 |
| More_Info: | ['1 . Appearance Yellow or 棕色晶体 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）35-39 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，3mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）113 ', '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 3466 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Water 解'] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| RIDADR: | 2811 |
| Hazard_Codes: | C |
| HS_Code: | 2930909090 |
| Safety_Statements: | S26-S36-S36/37/39-S45 |
| Packing_Group: | III |
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