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47729-63-5

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Basic Information
CAS No.: 47729-63-5
Name: JC-1
Article Data: 3
Molecular Structure:
Molecular Structure of 47729-63-5 (JC-1)
Formula: C25H27Cl4IN4
Molecular Weight: 652.233
Synonyms: 1H-Benzimidazolium,5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1,3-diethyl-,iodide, (E)-;Benzimidacarbocyanine,5,5',6,6'-tetrachloro-1,1',3,3'-tetraethyl-, iodide,trans-;T 3168;
Appearance: solid
Safety: 22-24/25
PSA: 18.67000
LogP: 4.15720
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Specification

This chemical is called 5,6-Dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium iodide, and its CAS registry number is 47729-63-5. With the molecular formula of C25H27Cl4IN4, its molecular weight is 652.23.

Other characteristics of the 5,6-Dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium iodide can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 15.29 Å2.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contact with skin and eyes.

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