Benzoyl isothiocyanate
Catalog No: FT-0622740
CAS No: 532-55-8
- Chemical Name: Benzoyl isothiocyanate
- Molecular Formula: C8H5NOS
- Molecular Weight: 163.2
- InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N
- InChI: InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
| 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 |
| FW: | 163.196 |
|---|---|
| CAS: | 532-55-8 |
| Flash_Point: | 106.0±18.7 °C |
| MF: | C8H5NOS |
| Symbol: | Danger |
| Bolling_Point: | 251.7±9.0 °C at 760 mmHg |
| Melting_Point: | 128 °C |
| Product_Name: | benzoylthiocarbimide |
| Density: | 1.1±0.1 g/cm3 |
| FW: | 163.196 |
|---|---|
| MF: | C8H5NOS |
| Water_Solubility: | almost insoluble |
| Refractive_Index: | 1.586 |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Bolling_Point: | 251.7±9.0 °C at 760 mmHg |
| Exact_Mass: | 163.009186 |
| PSA: | 61.52000 |
| Computational_Chemistry: | ['1. XlogP :32 ', '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 615 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :190 ', '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'] |
| Molecular_Structure: | ['1 . Molar refractive index 4809 ', '2 . Molar volume （m3/mol）1433 ', '3 . Parachor （902K）3626 ', '4 . Surface tension 409 ', '5 . Polarizability 1906'] |
| LogP: | 2.80 |
| Melting_Point: | 128 °C |
| Flash_Point: | 106.0±18.7 °C |
| Density: | 1.1±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Yellow or 橙Yellow Liquid ', '2 . Density（g/ cm3,25/4℃）1197 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-1 ', '5 . Boiling point（ºC,Atmospheric pressure）252 ', '6 . Boiling point（ºC,8kPa）Unknow ', '7 . Refractive index16382 ', '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,551ºC）Unknow ', '13 . Combustion heat（KJ/mol）489 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 28 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难Soluble in Water '] |
| Supplementary_Hazard_Statement: | Contact with acids liberates very toxic gas. |
|---|---|
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| HS_Code: | 29309070 |
| Symbol: | Danger |
| Risk_Statements(EU): | R25;R32;R36;R43 |
| WGK_Germany: | 3 |
| Warning_Statement: | P280-P301 + P310-P305 + P351 + P338 |
| Packing_Group: | III |
| Safety_Statements: | H301-H317-H318 |
| RIDADR: | UN 2810 6.1/PG 3 |
| Hazard_Codes: | T:Toxic; |
| Hazard_Class: | 6.1 |
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