4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
4228-89-1- Standard SMILES
FC(F)(F)c1nc2c(Cl)ccc(Cl)c2[nH]1- InChIKey
QECRKWYIIQPMPA-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2F3N2
- Average molar mass
- 255.02 g/mol
- Monoisotopic mass
- 253.962538
Names & identifiers
- Preferred name
- 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
- Molecular formula
- C8H3Cl2F3N2
- Molecular weight
- 255.02
Names & synonyms
4228-89-1BENZIMIDAZOLE, 4,7-DICHLORO-2-(TRIFLUOROMETHYL)-4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazoleDTXSID00195107RefChem:1069545DTXCID701175984,7-Dichloro-2-(trifluoromethyl)-1H-benzo[d]imidazoleBRN 09604354,7-Dichloro-2-(trifluoromethyl)benzimidazoleSCHEMBL9868847QECRKWYIIQPMPA-UHFFFAOYSA-N4,7-Dichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Show more names
1H-Benzimidazole, 4,7-dichloro-2-(trifluoromethyl)-
Database identifiers
- CAS
4228-89-1- PubChem CID
- 20212
- DTXSID
DTXSID00195107- Nikkaji
- J41.315A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
LogP2.87
Physicochemical properties
- Melting point
- 273 · 273-274 °C
- Boiling point
- 332.3 · 332.3±42.0 °C(Predicted)
- Density
- 1.672 · 1.672±0.06 g/cm3(Predicted)
- pka
- 6.26 · 6.26±0.10(Predicted)
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Compound notes
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