FT-0606065 CAS:51858-17-4 chemical structure

4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT

Name: 4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT
Rating: 4.5 (11 reviews)

Catalog No: FT-0606065

CAS No: 51858-17-4

Molecular Formula: 706.7
Formula Weight: C25H16K2N4O12S2
Inchl Key: JCGBFZMAOUKSPX-SAJZWCDJSA-L
Inchl: InChI=1S/C25H18N4O12S2.2K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;/h1-13,26H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b3-1+,4-2+,19-5-;;

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Warning
FW:	706.74100
Density:	N/A
CAS:	51858-17-4
Bolling_Point:	N/A
Product_Name:	4,4'-bis[3-carboxy-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-yl]pentamethine oxonole dipotassium salt
Melting_Point:	250ºC (dec.)(lit.)
Flash_Point:	113 °C
MF:	C25H16K2N4O12S2

Computational_Chemistry:	['1 . XlogP 未确定 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 254 ', '7 . Heavy Atom Count 45 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1550 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 3 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 3']
LogP:	0.74550
Melting_Point:	250ºC (dec.)(lit.)
FW:	706.74100
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）250 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，03mm hg）1Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）230 ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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:	276.48000
MF:	C25H16K2N4O12S2
Exact_Mass:	705.94800

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi
Risk_Statements(EU):	36/37/38
Safety_Statements:	26-36
Symbol:	Warning
Flash_Point_(F):	235.4 °F
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338
Flash_Point_(C):	113 °C