Chemical Name: ACID BLUE 120
Molecular Formula: C33H23N5Na2O6S2
Molecular Weight: 695.7
InChI Key: BMYUQZABARGLAD-UHFFFAOYSA-L
InChI: InChI=1S/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

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

Base Information
Chemical Information

Product_Name:	acid blue 120
Flash_Point:	N/A
Melting_Point:	N/A
FW:	695.67500
Density:	N/A
CAS:	3529-01-9
Bolling_Point:	N/A
MF:	C33H23N5Na2O6S2

Molecular_Structure:	['. Molar refractive index 无可用 . Molar volume （ m', '3/mol ）无可用 . Parachor （ 902K ）无可用表面张力（ dyne/cm ）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:	10.91860
Refractive_Index:	1.71
FW:	695.67500
Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 11 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 170 ', '7 . Heavy Atom Count 47 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 1290 ', '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']
PSA:	192.63000
MF:	C33H23N5Na2O6S2
More_Info:	['1 . Appearance 深紫棕色粉末 ', '2 . Density（g/mLat 25°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 001mmHg）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 可Soluble in Water , Soluble in Ethanol ']
Exact_Mass:	695.08900