BENZHYDRYL ISOTHIOCYANATE
Catalog No: FT-0622662
CAS No: 3550-21-8
- Chemical Name: BENZHYDRYL ISOTHIOCYANATE
- Molecular Formula: C14H11NS
- Molecular Weight: 225.31
- InChI Key: WDOSFTZMBFYTED-UHFFFAOYSA-N
- InChI: InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
| 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 |
| Symbol: | Danger |
|---|---|
| FW: | 225.30900 |
| Density: | 1.05g/cm3 |
| CAS: | 3550-21-8 |
| Bolling_Point: | 160-165°C 4mm |
| Product_Name: | [isothiocyanato(phenyl)methyl]benzene |
| Melting_Point: | 57-61 °C(lit.) |
| Flash_Point: | 160-165°C/4mm |
| MF: | C14H11NS |
| Molecular_Structure: | ['1 . Molar refractive index 7234 ', '2 . Molar volume （m3/mol）2143 ', '3 . Parachor （902K）5338 ', '4 . Surface tension 384 ', '5 . Polarizability （10 -24cm 3）2868'] |
|---|---|
| Flash_Point: | 160-165°C/4mm |
| Refractive_Index: | 1.59 |
| FW: | 225.30900 |
| Density: | 1.05g/cm3 |
| Bolling_Point: | 160-165°C 4mm |
| Computational_Chemistry: | ['1. XlogP :5 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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'] |
| LogP: | 3.87880 |
| Melting_Point: | 57-61 °C(lit.) |
| PSA: | 44.45000 |
| MF: | C14H11NS |
| More_Info: | ['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）58-60 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）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,60ºC）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'] |
| Exact_Mass: | 225.06100 |
| Hazard_Codes: | Xn:Harmful; |
|---|---|
| Symbol: | Danger |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P342 + P311 |
| HS_Code: | 2930909090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Safety_Statements: | S22-S26-S36 |
| RIDADR: | 2811 |
| WGK_Germany: | 3 |
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