CYCLOOCTYL ISOTHIOCYANATE

Catalog No: FT-0624243

CAS No: 33522-04-2

Chemical Name: CYCLOOCTYL ISOTHIOCYANATE
Molecular Formula: C9H15NS
Molecular Weight: 169.29
InChI Key: MHPKAOOPCYGVPY-UHFFFAOYSA-N
InChI: InChI=1S/C9H15NS/c11-8-10-9-6-4-2-1-3-5-7-9/h9H,1-7H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	isothiocyanatocyclooctane
Flash_Point:	116.6ºC
Melting_Point:	N/A
FW:	169.28700
Density:	1.01
CAS:	33522-04-2
Bolling_Point:	266.9ºC at 760mmHg
MF:	C9H15NS

LogP:	3.20210
Flash_Point:	116.6ºC
Refractive_Index:	1.544
FW:	169.28700
Density:	1.01
Bolling_Point:	266.9ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :45 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :142 ', '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']
PSA:	44.45000
MF:	C9H15NS
More_Info:	['1 . Appearance 有刺激性气味的Yellow Liquid ', '2 . Density（g/mL,20℃）101 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,29KPa）160 ', '7 . Refractive indexn20/D 15440 ', '8 . Flash point（ºC）160 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:	169.09300