5-PHENYL-2-[2-[[5-PHENYL-3-(3-SULFOPROPYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL-1-BUTENYL]-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE,INNER SALT],SODIUM SALT

Catalog No: FT-0639118

CAS No: 33628-03-4

Chemical Name: 5-PHENYL-2-[2-[[5-PHENYL-3-(3-SULFOPROPYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL-1-BUTENYL]-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE,INNER SALT],SODIUM SALT
Molecular Formula: C37H35N2NaO8S2
Molecular Weight: 722.8
InChI Key: MDBAEQGNAMHPTI-UHFFFAOYSA-M
InChI: InChI=1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/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

Symbol:	Warning
FW:	722.80200
Density:	N/A
CAS:	33628-03-4
Bolling_Point:	N/A
Product_Name:	5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3h)-benzoxazolylidene]methyl-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide, inner salt], sodium salt
Melting_Point:	265ºC (dec.)(lit.)
Flash_Point:	N/A
MF:	C37H35N2NaO8S2

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 11 ', '5 . Isotope Atom Count ', '6 . TPSA 144 ', '7 . Heavy Atom Count 50 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1230 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 2']
LogP:	8.18940
Melting_Point:	265ºC (dec.)(lit.)
FW:	722.80200
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）265 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mmHg）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 Unknow']
PSA:	166.25000
MF:	C37H35N2NaO8S2
Exact_Mass:	722.17300

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi: Irritant;
Risk_Statements(EU):	36/37/38
Safety_Statements:	26-36
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338