Molecular Formula: 245.36
Formula Weight: C16H23NO
Inchl Key: BEQZSRGZHCDMMH-UHFFFAOYSA-N
Inchl: InChI=1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	(3,5-Ditert-butyl-4-hydroxyphenyl)acetonitrile
Bolling_Point:	323.0±37.0 °C at 760 mmHg
Density:	1.0±0.1 g/cm3
MF:	C16H23NO
CAS:	1611-07-0
Melting_Point:	104 °C
Flash_Point:	149.2±26.5 °C
FW:	245.360

MF:	C16H23NO
Bolling_Point:	323.0±37.0 °C at 760 mmHg
Exact_Mass:	245.177963
More_Info:	['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）104 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） 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']
Melting_Point:	104 °C
PSA:	44.02000
Flash_Point:	149.2±26.5 °C
Refractive_Index:	1.513
Density:	1.0±0.1 g/cm3
Molecular_Structure:	['1 . Molar refractive index 7437 ', '2 . Molar volume （m3/mol）2474 ', '3 . Parachor （902K）6032 ', '4 . Surface tension 353 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability （10 -24cm 3）2948']
Computational_Chemistry:	['1. XlogP :46 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 44 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :301 ', '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']
FW:	245.360
LogP:	4.09
Vapor_Pressure:	0.0±0.7 mmHg at 25°C

Risk_Statements(EU):	R20/21/22
Hazard_Codes:	Xi: Irritant;
HS_Code:	2926909090
Hazard_Class:	6.1
Packing_Group:	III
Safety_Statements:	S22-S36/37/39-S45
RIDADR:	3276