Kayasorb IRG 022 (5496-71-9)

Identification
Name:	Kayasorb IRG 022
Synonyms:	Cyasorb IR 165;Benzenaminium,N,N'-2,5-cyclohexadiene-1,4- diylidenebis[4-(dibutylamino)-N-[4- (dibutylamino)phenyl]-,bis[(OC-6-11)- hexafluoroantimonate(1-)];N,N,N,N-Tetrakis(4-dibutylaminophenyl)-p-benzoquinone;
CAS:	5496-71-9
EINECS:	226-831-0
Molecular Formula:	C₆₂H₉₂F₁₂N₆Sb₂
Molecular Weight:	1120.35
InChI:	InChI=1/C62H92N6.12FH.2Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;;;;;;;;;;;;;;/h25-44H,9-24,45-52H2,1-8H3;121H;;/q+2;;;;;;;;;;;;;2+5/p-12/rC62H92N6.2F6Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;21-7(2,3,4,5)6/h25-44H,9-24,45-52H2,1-8H3;;/q+2;2-1
Molecular Structure:
Properties
Specification:	The N3,N3,N6,N6-Tetrakis[4-(dibutylamino)phenyl]-1,4-cyclohexadiene-3,6-diaminium hexafluoroantimonate (1:2), with the cas registry number of 5496-71-9, is also known as N,N'-Cyclohexa-2,5-diene-1,4-diylidenebis[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilinium] bis[hexafluoroantimonate(1-)](1:2). Its EINECS number is 226-831-0. What's more, both its IUPAC name and systematic name are the same which is called Antimony; dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium; dodecafluoride. Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)Rotatable Bond Count: 32; (4)Exact Mass: 1392.527219; (5)MonoIsotopic Mass: 1390.526821; (6)Topological Polar Surface Area: 19; (7)Heavy Atom Count: 82; (8)Formal Charge: -10; (9)Complexity: 1190; (10)Melting Point: 200-210°C. You can still convert the following datas into molecular structure: (1)Canonical SMILES: CCCCN(CCCC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CCCC)CCCC)C3=CC=C(C=C3)[N+](=C4C=CC(=[N+](CCCC)CCCC)C=C4)C5=CC=C(C=C5)N(CCCC)CCCC.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Sb].[Sb] (2)InChI: InChI=1S/C62H92N6.12FH.2Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;;;;;;;;;;;;;;/h25-44H,9-24,45-52H2,1-8H3;12*1H;;/q+2;;;;;;;;;;;;;;/p-12 (3)InChIKey: PVPPMBMDSDLVQN-UHFFFAOYSA-B
Safety Data

Kayasorb IRG 022 (5496-71-9)

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