

OCTYL ISOTHIOCYANATE
Catalog No: FT-0607995
CAS No: 4430-45-9
- Molecular Formula: 171.31
- Formula Weight: C9H17NS
- Inchl Key: YEZHGQZHWKJPCM-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
Assay | Pack | 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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