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3520-43-2

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Basic Information
CAS No.: 3520-43-2
Name: JC-1
Article Data: 3
Molecular Structure:
Molecular Structure of 3520-43-2 (JC-1)
Formula: C25H27Cl4IN4
Molecular Weight: 652.22
Synonyms: 5,5,6,6-TETRACHLORO-1,1,3,3-*TETRAETHYBENZIMIDA;5,5,6,6-tetrachloro-1,1,3,3-tetraethyl-imidacarbocyanine iodide;5,5,6,6-Tetrachloro-1,1,3,3-tetraethylbenzimidazolocarbocyanine iodide;JC-1;JC-1;JC-1,5,5′,6,6′-Tetrachloro-1,1′,3,3′-tetraethyl-imidacarbocyanine iodide, 5,5′,6,6′-Tetrachloro-1,1′,3,3′-tetraethylbenzimidazolocarbocyanine iodide, CBIC2(3);JC-1 jodide
EINECS: 200-258-5
Melting Point: 275–278 ℃
PSA: 18.67000
LogP: 4.15720
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Specification

The 5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide is an organic compound with the formula C25H27Cl4IN4. The IUPAC name of this chemical is 5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole iodide. With the CAS registry number 3520-43-2, it is also named as 1H-3,1-Benzimidazolium, 5,6-dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl]-1,3-diethyl-, iodide (1:1).

Physical properties about 5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 15.29 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].Clc1cc2N(/C(N(c2cc1Cl)CC)=C\C=C\c4[n+](c3cc(Cl)c(Cl)cc3n4CC)CC)CC
(2)InChI: InChI=1/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: FYNNIUVBDKICAX-REWHXWOFAG
(4)Std. InChI: InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: FYNNIUVBDKICAX-UHFFFAOYSA-M