Calmidazolium

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium

CAS: 95013-41-5

Molecular Formula	`C31H23Cl6N2O+`
Molecular Weight	652.2 g/mol
LogP	10.0
Topological Polar Surface Area	18.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	9
Exact Mass	650.9912
Heavy Atoms	40
Complexity	742.0

Chemical Identifiers

CAS Number	95013-41-5
SMILES	`C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl`
InChIKey	`CTKNMSVWMRRCPW-UHFFFAOYSA-N`

📖 Product Overview

Calmidazolium (CAS: 95013-41-5) is a chemical compound with molecular formula C31H23Cl6N2O+ and molecular weight 652.2 g/mol. Its IUPAC systematic name is 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium. LogP 10.0 Topological Polar Surface Area 18.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 9 Exact Mass 650.9912 Heavy Atoms 40 Complexity 742.0 InChI Key: CTKNMSVWMRRCPW-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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