Chemical Name: DIRECT YELLOW 50
Molecular Formula: C35H24N6Na4O13S4
Molecular Weight: 956.8
InChI Key: XRFRTDKENRGSSX-UHFFFAOYSA-J
InChI: InChI=1S/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

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

Product_Name:	direct yellow 50
Flash_Point:	N/A
Melting_Point:	N/A
FW:	956.81700
Density:	N/A
CAS:	3214-47-9
Bolling_Point:	N/A
MF:	C35H24N6Na4O13S4

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 17 ', '4 . Rotatable Bond Count 10 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 308 ', '7 . Heavy Atom Count 59 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1840 ', '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 2']
Molecular_Structure:	['. Molar refractive index 无可用 . Molar volume （cm ', '3/mol）无可用 . Parachor （902K）无可用 . Surface tension 无可用 . Dielectric constant （F/m）无可用偶极距（D）无可用 . Polarizability （10-24cm ', '3）无可用']
LogP:	11.17020
FW:	956.81700
More_Info:	['1 . Appearance 橙色粉末。 ', '2 . Density（g/mLat 20°C）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,3mmHg）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,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Water ，微Soluble in Ethanol ，Insoluble in 其他有机溶剂']
PSA:	352.89000
MF:	C35H24N6Na4O13S4
Exact_Mass:	955.98700