Molecular Formula: 416.4
Formula Weight: C20H13N2NaO5S
Inchl Key: ZQWICJYATMSSSD-UHFFFAOYSA-M
Inchl: InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1

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

Symbol:	Warning
FW:	416.382
Density:	N/A
CAS:	2538-85-4
Bolling_Point:	N/A
Product_Name:	calcon
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C20H13N2NaO5S

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 11 ', '6 . TPSA 119 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 791 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 2']
LogP:	5.80450
FW:	416.382
Water_Solubility:	20 g/L (20 ºC)
More_Info:	['1 . Appearance 紫黑色粉状 ', '2 . Density（g/mL, ,20℃）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 1mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 0ºC）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 Soluble in Water 呈枣红色，也Soluble in 溶纤素（乙二醇 Ethyl ether ）；微Soluble in Ethanol and 丙酮，Insoluble in 其他有机溶剂']
PSA:	130.76000
MF:	C20H13N2NaO5S
Exact_Mass:	416.044281

Hazard_Codes:	Xi:Irritant;
Symbol:	Warning
Warning_Statement:	P261-P305 + P351 + P338
HS_Code:	3206200000
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	QK2200000
Risk_Statements(EU):	R36/37/38
Safety_Statements:	S26-S36-S37/39
RIDADR:	NONH for all modes of transport
WGK_Germany:	3