4,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
2338-29-6- Standard SMILES
FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1- InChIKey
QLKDMIUEWFNEPV-UHFFFAOYSA-N- Molecular formula
- C8HCl4F3N2
- Average molar mass
- 323.9 g/mol
- Monoisotopic mass
- 321.884593
Overview
4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole is an organochlorine compound.
Names & identifiers
- Preferred name
- 4,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 4,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 4,5,6,7-tetrachloro-2-trifluoromethylbenzimidazole
- Molecular formula
- C8HCl4F3N2
- Molecular weight
- 323.91
Names & synonyms
4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole2338-29-64,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole1H-Benzimidazole, 4,5,6,7-tetrachloro-2-(trifluoromethyl)-DTXSID30177936TetrachlorotrifluoromethylbenzimidazoleRefChem:911848DTXCID90100427TTFB-4,5,6,74,5,6,7-TTBBRN 06218834,5,6,7-Tetrachloro-2-(trifluoromethyl)benzimidazole
Show more names
TTFB4,5,6,7-Tetrachloro-2-trifluoromethyl-1H-benzimidazole
Benzimidazole, 4,5,6,7-tetrachloro-2-(trifluoromethyl)-ST0232605-23-06-00359 (Beilstein Handbook Reference)CHEBI:1744SCHEMBL1728364CHEMBL4572335SCHEMBL29357472QLKDMIUEWFNEPV-UHFFFAOYSA-N
Database identifiers
- CAS
2338-29-6- PubChem CID
- 75357
- DTXSID
DTXSID30177936- ChEMBL
CHEMBL4572335- ChEBI
CHEBI:1744
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
LogP3.97
Physicochemical properties
- Boiling point
- 98.5 °C · 98.5°C (rough estimate)
- Density
- 1.7319 · 1.7319 (estimate)
Chemistry & industry
Applications
Uses4,5,6,7-Tetrachloro-2-(Trifluoromethyl)-1H-Benzimidazole can be useful in evaluation of rhodopsin channel activity by measuring photocurrent voltage dependence in planar bilayer lipid membranes.
Additional notes
DefinitionChEBI: 4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole is an organochlorine compound.
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