1-ADAMANTYL ISOTHIOCYANATE
Catalog No: FT-0635278
CAS No: 4411-26-1
- Chemical Name: 1-ADAMANTYL ISOTHIOCYANATE
- Molecular Formula: C11H15NS
- Molecular Weight: 193.31
- InChI Key: YPKFLUARLJRPQM-UHFFFAOYSA-N
- InChI: InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
| 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: | GHS07 |
|---|---|
| CAS: | 4411-26-1 |
| Flash_Point: | 138.0±26.0 °C |
| Product_Name: | 1-Isothiocyanatoadamantane |
| Bolling_Point: | 297.6±7.0 °C at 760 mmHg |
| FW: | 193.309 |
| Melting_Point: | 166-168 °C(lit.) |
| MF: | C11H15NS |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.722 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 138.0±26.0 °C |
| LogP: | 3.82 |
| Bolling_Point: | 297.6±7.0 °C at 760 mmHg |
| PSA: | 44.45000 |
| Molecular_Structure: | ['1 . Molar refractive index 5650 ', '2 . Molar volume （m3/mol）1428 ', '3 . Parachor （902K）3781 ', '4 . Surface tension 491 ', '5 . Polarizability （10 -24cm 3）2239'] |
| Computational_Chemistry: | ['1. XlogP :42 ', '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 :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :237 ', '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: | 166-168 °C(lit.) |
| MF: | C11H15NS |
| Exact_Mass: | 193.092514 |
| FW: | 193.309 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）168 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC,9mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| Symbol: | GHS07 |
|---|---|
| RIDADR: | 2811 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1(b) |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard_Codes: | Xn: Harmful; |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| Safety_Statements: | H302 + H312 + H332-H315-H319-H335 |
