OCTYL ISOTHIOCYANATE
Catalog No: FT-0607995
CAS No: 4430-45-9
- Chemical Name: OCTYL ISOTHIOCYANATE
- Molecular Formula: C9H17NS
- Molecular Weight: 171.31
- InChI Key: YEZHGQZHWKJPCM-UHFFFAOYSA-N
- InChI: InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
| 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: | N/A |
|---|---|
| CAS: | 4430-45-9 |
| MF: | C9H17NS |
| Flash_Point: | 94 °C |
| Product_Name: | 1-isothiocyanatooctane |
| Density: | 0.88 |
| FW: | 171.30300 |
| Bolling_Point: | 125 °C (7 mmHg) |
| Refractive_Index: | 1.49 |
|---|---|
| Flash_Point: | 94 °C |
| LogP: | 3.44970 |
| Bolling_Point: | 125 °C (7 mmHg) |
| FW: | 171.30300 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :5 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :117 ', '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'] |
| MF: | C9H17NS |
| Exact_Mass: | 171.10800 |
| Molecular_Structure: | ['1 . Molar refractive index 5421 ', '2 . Molar volume (m3/mol)1898 ', '3 . Parachor (902K)4428 ', '4 . Surface tension 296 ', '5 . Polarizability (10 -24cm 3)2149'] |
| Density: | 0.88 |
| More_Info: | ['1 . Appearance Colourless Liquid ', '2 . Density0880 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC,7mmHg)124-126 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)69 ', '9 . Specific rotation(º)不确定 ', '10 燃点(ºC)69 ', '11 . Vapor pressure(kPa,25ºC)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'] |
| Hazard_Class: | 8 |
|---|---|
| Risk_Statements(EU): | 36/37/38-20/21/22 |
| RIDADR: | 2810 |
| Hazard_Codes: | Xn: Harmful; |
| HS_Code: | 2930909090 |
| Safety_Statements: | S36/37/39-S26 |
| Packing_Group: | III |
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