Chemical Name: CADION
Molecular Formula: C18H14N6O2
Molecular Weight: 346.3
InChI Key: SMMIDVLUFMPWFN-UHFFFAOYSA-N
InChI: InChI=1S/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)

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:	346.34300
Density:	1.3 g/cm3
CAS:	5392-67-6
Bolling_Point:	535ºC at 760 mmHg
Product_Name:	cadion
Melting_Point:	189ºC (dec.)(lit.)
Flash_Point:	277.4ºC
MF:	C18H14N6O2

Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 9878 ', '2 . Molar volume （m3/mol）2656 ', '3 . Parachor （902K）7292 ', '4 . Surface tension 567 ', '5 . Polarizability （10 -24cm 3）3916']
Flash_Point:	277.4ºC
Refractive_Index:	1.666
FW:	346.34300
Density:	1.3 g/cm3
Bolling_Point:	535ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :56 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 107 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :484 ', '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']
LogP:	6.71720
Melting_Point:	189ºC (dec.)(lit.)
PSA:	107.29000
MF:	C18H14N6O2
More_Info:	['1 . Appearance Yellow to 橙色结晶 ', '2 . Density（g/mL,25/4℃）Unknow ', '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,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）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 易Soluble in 苯丙酮，Soluble in 碱性醇溶液呈紫色，Insoluble in Water ']
Exact_Mass:	346.11800

Hazard_Codes:	Xn: Harmful;
Symbol:	Warning
Packing_Group:	II
Hazard_Class:	4.1
Warning_Statement:	P280
HS_Code:	2928000090
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Risk_Statements(EU):	R5
Safety_Statements:	14-15-36/37
RIDADR:	UN 3230