sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate

Catalog No: FT-0762794

CAS No: 129-17-9

Chemical Name: sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
Molecular Formula: C27H31N2NaO6S2
Molecular Weight: 566.7
InChI Key: SJEYSFABYSGQBG-UHFFFAOYSA-M
InChI: InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/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

Bolling_Point:	N/A
CAS:	129-17-9
MF:	C27H31N2NaO6S2
Density:	N/A
Melting_Point:	290ºC
Product_Name:	patent blue violet
Flash_Point:	N/A
FW:	566.665

Exact_Mass:	566.152100
PSA:	137.41000
LogP:	5.92380
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 137 ', '7. Heavy Atom Count :38 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1040 ', '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']
FW:	566.665
MF:	C27H31N2NaO6S2
Melting_Point:	290ºC

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard_Codes:	T
RTECS:	BP6830000
HS_Code:	32041200
Risk_Statements(EU):	R45
RIDADR:	NONH for all modes of transport
Safety_Statements:	S24/25