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2，2'，4-Tris(2-chlorophenyl)-5-(3，4-dimethoxyphenyl)-4'，5'-diphenyl-1，1'-biimidazole - ≥95%, high purity , CAS No.100486-97-3

COA

Grade & Purity:

≥95%

Cas Number: 100486-97-3
Molecular Weight: 754.12
PubChem CID: 3034954

In stock

Item Number

T708460

Grouped product items
SKU	Size	Availability	Price	Qty
T708460-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$495.90
T708460-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,449.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Dimethoxybenzenes 1,2,4,5-tetrasubstituted imidazoles Phenoxy compounds Anisoles Chlorobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - Dimethoxybenzene - O-dimethoxybenzene - 1,2,4,5-tetrasubstituted imidazole - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azacycle - Ether - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,4-bis(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-5-(3,4-dimethoxyphenyl)imidazole
INCHI	InChI=1S/C44H31Cl3N4O2/c1-52-37-26-25-30(27-38(37)53-2)42-40(31-19-9-12-22-34(31)45)49-44(33-21-11-14-24-36(33)47)51(42)50-41(29-17-7-4-8-18-29)39(28-15-5-3-6-16-28)48-43(50)32-20-10-13-23-35(32)46/h3-27H,1-2H3
InChIKey	CCDFGBMWPCTZSG-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C2=C(N=C(N2N3C(=C(N=C3C4=CC=CC=C4Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)OC
Isomeric SMILES	COC1=C(C=C(C=C1)C2=C(N=C(N2N3C(=C(N=C3C4=CC=CC=C4Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)OC
PubChem CID	3034954
Molecular Weight	754.12

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	754.100 g/mol
XLogP3	12.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	752.151 Da
Monoisotopic Mass	752.151 Da
Topological Polar Surface Area	54.100 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1140.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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