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PATENT BLUE V

Catalog No: FT-0634892

CAS No: 3536-49-0

Chemical Name: PATENT BLUE V
Molecular Formula: Calcium compound: C27H31N2O7S2Ca1/2; Sodium compound: C27H31N2O7S2Na
Molecular Weight: 1159.4 g/mol
InChI Key: RTMBGDBBDQKNNZ-UHFFFAOYSA-L
InChI: InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/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:	calcium,4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
Flash_Point:	N/A
Melting_Point:	>300ºC
FW:	1159.427
Density:	N/A
CAS:	3536-49-0
Bolling_Point:	N/A
MF:	C54H62CaN4O14S4

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :16 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count :5 ', '6. TPSA 315 ', '7. Heavy Atom Count :77 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1070 ', '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 :3']
LogP:	11.25880
FW:	1159.427
Melting_Point:	>300ºC
More_Info:	['1 . Appearance 深绿色or 蓝色无味的结晶性粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）200 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）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（mPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 ']
PSA:	315.28000
MF:	C54H62CaN4O14S4
Exact_Mass:	1158.277100