Chemical Name: Eriochrome Black A
Molecular Formula: C20H12N3NaO7S
Molecular Weight: 461.4
InChI Key: DXRWYIKGBIPGAG-UHFFFAOYSA-M
InChI: InChI=1S/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1

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:	Eriochrome Black A
Flash_Point:	N/A
Melting_Point:	N/A
FW:	461.38000
Density:	N/A
CAS:	3618-58-4
Bolling_Point:	N/A
MF:	C20H12N3NaO7S

Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 3 ', '2 . Hydrogen Bond Acceptor Count 9 ', '3 . Rotatable Bond Count 3 ', '4 . Isotope Atom Count 11 ', '5 . TPSA 159 ', '6 . Heavy Atom Count 32 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 905 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 1 ', '14 . Covalently-Bonded Unit Count 2']
LogP:	6.23590
Refractive_Index:	1.747
FW:	461.38000
More_Info:	['1 . Appearance 不确定 ', '2 . Densityd（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling pointbp（ºC, 24mm ）不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
PSA:	176.58000
MF:	C20H12N3NaO7S
Exact_Mass:	461.02900