5-CHLORO-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2(3H)-BENZOXAZOLYLIDENE)METHYL]-1-BUTENYL)-3-(4-SULFOBUTYL)-BENZOXAZOLIUM HYDROXIDE,INNER SALT TRIETHYLAMIN E SALT

Catalog No: FT-0620228

CAS No: 92771-38-5

Chemical Name: 5-CHLORO-2-(2-[(5-CHLORO-3-(4-SULFOBUTYL)-2(3H)-BENZOXAZOLYLIDENE)METHYL]-1-BUTENYL)-3-(4-SULFOBUTYL)-BENZOXAZOLIUM HYDROXIDE,INNER SALT TRIETHYLAMIN E SALT
Molecular Formula: C33H45Cl2N3O8S2
Molecular Weight: 746.8
InChI Key: WBEYWDOEKGGXFF-UHFFFAOYSA-N
InChI: InChI=1S/C27H30Cl2N2O8S2.C6H15N/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3

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:	5-chloro-2-(2-[(5-chloro-3-(4-sulfobutyl)-2(3h)- benzoxazolylidene)methyl]-1-butenyl)-3-(4-sulfobutyl)-benzoxazolium hydroxide, inner salt triethylamin e salt
Flash_Point:	102.1ºC
Melting_Point:	37-39ºC
FW:	746.76200
Density:	2.089g/cm3
CAS:	92771-38-5
Bolling_Point:	245.3ºC at 760mmHg
MF:	C33H45Cl2N3O8S2

Molecular_Structure:	['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用 ', '5 . Polarizability 无可用']
LogP:	8.63310
Flash_Point:	102.1ºC
FW:	746.76200
Density:	2.089g/cm3
Bolling_Point:	245.3ºC at 760mmHg
Computational_Chemistry:	['1 . XlogP N/A可用 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 15 ', '5 . TPSA 144 ', '6 . Heavy Atom Count 48 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1170 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 2 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
Melting_Point:	37-39ºC
PSA:	166.66000
MF:	C33H45Cl2N3O8S2
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）37-39 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	745.20300