Chemical Name: Acid Blue 93
Molecular Formula: C37H27N3Na2O9S3
Molecular Weight: 799.8
InChI Key: MCPLVIGCWWTHFH-UHFFFAOYSA-L
InChI: InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/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

Symbol:	Warning
FW:	799.799
Density:	N/A
CAS:	28983-56-4
Bolling_Point:	N/A
Product_Name:	Methyl blue
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C37H27N3Na2O9S3

Computational_Chemistry:	['1. XlogP :57 ', '2. Hydrogen Bond Donor Count :5 ', '3. Hydrogen Bond Acceptor Count :11 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :4 ', '6. TPSA 229 ', '7. Heavy Atom Count :52 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1560 ', '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 :1']
LogP:	10.31770
FW:	799.799
More_Info:	['1 . Appearance 深褐色微晶体 ', '2 . Density（g/mL,25℃）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, KPa）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（Pa,70ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow']
PSA:	230.33000
MF:	C37H27N3Na2O9S3
Exact_Mass:	799.070496

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	DB5044700
Warning_Statement:	P261-P305 + P351 + P338
Safety_Statements:	S22-S24/25
Symbol:	Warning
RIDADR:	NONH for all modes of transport
WGK_Germany:	3