Chemical Name: HYDROQUININE (ANTHRAQUINONE-1 4-DIYL)
Molecular Formula: C54H56N4O6
Molecular Weight: 857.0
InChI Key: ARCFYUDCVYJQRN-KESJXZTCSA-N
InChI: InChI=1S/C54H56N4O6/c1-5-31-29-57-23-19-33(31)25-45(57)53(39-17-21-55-43-13-11-35(61-3)27-41(39)43)63-47-15-16-48(50-49(47)51(59)37-9-7-8-10-38(37)52(50)60)64-54(46-26-34-20-24-58(46)30-32(34)6-2)40-18-22-56-44-14-12-36(62-4)28-42(40)44/h7-18,21-22,27-28,31-34,45-46,53-54H,5-6,19-20,23-26,29-30H2,1-4H3/t31-,32-,33-,34-,45-,46-,53+,54+/m0/s1

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:	857.046
Density:	1.3±0.1 g/cm3
CAS:	176097-24-8
Bolling_Point:	N/A
Product_Name:	1,4-Bis(dihydroquinine)anthraquinoneanthraquinone
Melting_Point:	-160ºC (dec.)
Flash_Point:	N/A
MF:	C54H56N4O6

Molecular_Structure:	['1 . Molar refractive index 24727 ', '2 . Molar volume （m3/mol）6433 ', '3 . Parachor （902K）18576 ', '4 . Surface tension 695 ', '5 . Polarizability （10 -24cm 3）9802']
Refractive_Index:	1.695
FW:	857.046
Density:	1.3±0.1 g/cm3
Water_Solubility:	Insuluble (2.3E-9 g/L) (25 ºC)
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :N/A ', '6. TPSA 103 ', '7. Heavy Atom Count :64 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1520 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :8 ', '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:	10.35
Melting_Point:	-160ºC (dec.)
PSA:	103.32000
MF:	C54H56N4O6
More_Info:	['1 . Appearance Yellow 结晶 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）160 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，002mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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:	856.419983

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi: Irritant;
Risk_Statements(EU):	R36/37/38
Safety_Statements:	S26
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338