TERT-OCTYL ISOTHIOCYANATE

Catalog No: FT-0637592

CAS No: 17701-76-7

Chemical Name: TERT-OCTYL ISOTHIOCYANATE
Molecular Formula: C9H17NS
Molecular Weight: 171.31
InChI Key: KUGHMFIBHMZICO-UHFFFAOYSA-N
InChI: InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

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

Melting_Point:	N/A
CAS:	17701-76-7
MF:	C9H17NS
Flash_Point:	69 °C
Product_Name:	2-isothiocyanato-2,4,4-trimethylpentane
Density:	1.199
FW:	171.30300
Bolling_Point:	227.7ºC at 760mmHg

Refractive_Index:	1.483-1.487
Flash_Point:	69 °C
LogP:	3.30400
Bolling_Point:	227.7ºC at 760mmHg
FW:	171.30300
PSA:	44.45000
Computational_Chemistry:	['1. XlogP :43 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :171 ', '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 5454 ', '2 . Molar volume （m3/mol）1970 ', '3 . Parachor （902K）4425 ', '4 . Surface tension 254 ', '5 . Polarizability 2162']
Density:	1.199
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）1199 ', '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, 52kPa）不确定 ', '7 . Refractive index1483-1487 ', '8 . Flash point（ºC）69 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '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:	6.1(b)
Risk_Statements(EU):	R36/37/38
RIDADR:	2810
Hazard_Codes:	Xn: Harmful;
HS_Code:	2930909090
Safety_Statements:	S36/37/39-S26
Packing_Group:	III