6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
656-49-5- Standard SMILES
FC(F)(F)c1nc2ccc(Cl)cc2[nH]1- InChIKey
OQKQEDXERMELRT-UHFFFAOYSA-N- Molecular formula
- C8H4ClF3N2
- Average molar mass
- 220.58 g/mol
- Monoisotopic mass
- 220.0015103
Names & identifiers
- Preferred name
- 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 6-chloro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 5-Chloro-2-(trifluoromethyl)benzimidazole
- Molecular formula
- C8H4ClF3N2
- Molecular weight
- 220.58
Names & synonyms
656-49-56-Chloro-2-(trifluoromethyl)-1H-benzimidazoleBENZIMIDAZOLE, 5-CHLORO-2-(TRIFLUOROMETHYL)-DTXSID80215857RefChem:1073864DTXCID101383485-Chloro-2-(trifluoromethyl)benzimidazole5-chloro-2-(trifluoromethyl)-1H-benzo[d]imidazole5-Chloro-2-(trifluoromethyl)-1H-benzimidazoleMFCD00808236ChemDiv3_0005525-chloro-2-(trifluoromethyl)-1H-1,3-benzodiazole
Show more names
5-Chlor-2-trifluormethyl-benzimidazol5-chloro-2-(trifluoromethyl)-benzimidazol5-Chloro-2-trifluoromethyl-1H-benzimidazole2-(Trifluoromethyl)-5-chloro-1H-benzimidazole6-chloro-2-(trifluoromethyl)-3aH-benzimidazole1H-Benzimidazole, 6-chloro-2-(trifluoromethyl)-
CHEMBL53788SCHEMBL9866407SCHEMBL9866412HMS1474J02ALBB-033334HTS25038AKOS000283120AKOS000511090
Database identifiers
- CAS
656-49-5- PubChem CID
- 12607
- DTXSID
DTXSID80215857- ChEMBL
CHEMBL53788- Nikkaji
- J69.199B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
LogP3.39
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 301 · 301.0±42.0 °C(Predicted)
- Density
- 1.569 · 1.569±0.06 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.10(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
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Related reactions
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Compound notes
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