Chemical Name: 4-HEXYL-4'-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-1,1'-BIPHENYL
Molecular Formula: C27H29NS
Molecular Weight: 399.6
InChI Key: KXHHFPNEPTUIEF-UHFFFAOYSA-N
InChI: InChI=1S/C27H29NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h9-20H,2-8H2,1H3

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

Symbol:	Warning
FW:	399.59100
Density:	1.01g/cm3
CAS:	110499-97-3
Bolling_Point:	532.3ºC at 760 mmHg
Product_Name:	1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
Melting_Point:	N/A
Flash_Point:	302ºC
MF:	C27H29NS

Molecular_Structure:	['1. Molar refractive index 12953 ', '2. Molar volume 3939 ', '3. Parachor （902K）9734 ', '4. Surface tension 372 ', '5. Dielectric constant N/A ', '6. Polarizability 5135 ', '7. Single isotope mass 39920207 Da ', '8. Nominal mass 399 Da ', '9. Average mass 3995909 Da']
LogP:	7.99590
Flash_Point:	302ºC
Refractive_Index:	1.571
FW:	399.59100
Density:	1.01g/cm3
Bolling_Point:	532.3ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :101 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :473 ', '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:	C27H29NS
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
Vapor_Pressure:	7.11E-11mmHg at 25°C
Exact_Mass:	399.20200

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi: Irritant;
Risk_Statements(EU):	R36/37/38
Safety_Statements:	26-37/39
Symbol:	Warning
Warning_Statement:	P261-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
HS_Code:	2930909090