3-CYANOPHENYL ISOTHIOCYANATE
Catalog No: FT-0615934
CAS No: 3125-78-8
- Molecular Formula: 160.2
- Formula Weight: C8H4N2S
- Inchl Key: UXCYPHCFQAFVFH-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS05, GHS07, GHS08 |
|---|---|
| CAS: | 3125-78-8 |
| Flash_Point: | 137.1ºC |
| Product_Name: | 3-isothiocyanatobenzonitrile |
| Bolling_Point: | 303.1ºC at 760mmHg |
| FW: | 160.19600 |
| Melting_Point: | 64-66 °C(lit.) |
| MF: | C8H4N2S |
| Density: | 1.12g/cm3 |
| Refractive_Index: | 1.604 |
|---|---|
| Flash_Point: | 137.1ºC |
| LogP: | 2.29258 |
| Bolling_Point: | 303.1ºC at 760mmHg |
| PSA: | 68.24000 |
| Molecular_Structure: | ['1 . Molar refractive index 4915 ', '2 . Molar volume （m3/mol）1428 ', '3 . Parachor （902K）3641 ', '4 . Surface tension 421 ', '5 . Polarizability 1948'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 682 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :222 ', '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: | 64-66 °C(lit.) |
| MF: | C8H4N2S |
| Exact_Mass: | 160.01000 |
| FW: | 160.19600 |
| Density: | 1.12g/cm3 |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）64-66 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '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'] |
| Symbol: | GHS05, GHS07, GHS08 |
|---|---|
| RIDADR: | UN 1759 8/PG 3 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| Hazard_Class: | 8 |
| Risk_Statements(EU): | R23/24/25;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard_Codes: | C: Corrosive;T: Toxic; |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P310 |
| Safety_Statements: | H302-H312-H314-H317-H332-H334 |
