Chemical Name: PONTACYL VIOLET 4BSN
Molecular Formula: C16H11N3Na2O8S2
Molecular Weight: 483.4
InChI Key: BBWPEJUNPNPWJI-UHFFFAOYSA-L
InChI: InChI=1S/C16H13N3O8S2.2Na/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/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

Product_Name:	pontacyl violet 4bsn
Flash_Point:	N/A
Melting_Point:	N/A
FW:	483.38300
Density:	N/A
CAS:	1681-60-3
Bolling_Point:	N/A
MF:	C16H11N3Na2O8S2

Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 5 ', '2 . Hydrogen Bond Acceptor Count 11 ', '3 . Rotatable Bond Count 4 ', '4 . Isotope Atom Count 43 ', '5 . TPSA 197 ', '6 . Heavy Atom Count 30 ', '7 . Topological Polar Surface Area 1 ', '8 . Complexity 924 ', '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:	4.79960
FW:	483.38300
PSA:	222.36000
MF:	C16H11N3Na2O8S2
More_Info:	['1 . Appearance 紫色粉末。 ', '2 . Density（g/mL,25/4℃）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, 52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º ）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 呈蓝紫色，微Soluble in Ethanol and 乙二醇 Ethyl ether 。']
Exact_Mass:	482.97800