Benzimidazole, 4,6-dichloro-2-(trifluoromethyl)-
Basic information
- CAS
4228-88-0- Standard SMILES
FC(F)(F)c1nc2c(Cl)cc(Cl)cc2[nH]1- InChIKey
CAFBQHRMRGNHME-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2F3N2
- Average molar mass
- 255.02 g/mol
- Monoisotopic mass
- 253.962538
Names & identifiers
- Preferred name
- Benzimidazole, 4,6-dichloro-2-(trifluoromethyl)-
- IUPAC
- 4,6-dichloro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 2-(Trifluoromethyl)-5,7-dichloro-1H-benzoimidazole
- Molecular formula
- C8H3Cl2F3N2
- Molecular weight
- 255.02
Names & synonyms
4228-88-0BENZIMIDAZOLE, 4,6-DICHLORO-2-(TRIFLUOROMETHYL)-4,6-Dichloro-2-(trifluoromethyl)benzimidazoleBRN 0960438DTXSID40195106RefChem:118140DTXCID10117597CAFBQHRMRGNHME-UHFFFAOYSA-N4,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole4,6-dichloro-2-(trifluoromethyl)-1H-benzo[d]imidazoleSCHEMBL8183601SCHEMBL8183606
Show more names
4,6-Dichloro-2-trifluoromethyl-1H-benzimidazole2-(Trifluoromethyl)-5,7-dichloro-1H-benzoimidazole1H-Benzimidazole, 5,7-dichloro-2-(trifluoromethyl)-
4,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole4,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzodiazoleHTS08939STK765845AKOS00508069912M-519SST40665634,6-dichloro-2-trifluoromethyl-benzimidazole
Database identifiers
- CAS
4228-88-0- PubChem CID
- 20211
- DTXSID
DTXSID40195106- Nikkaji
- J41.314C
Properties
Computed structural properties
- XLogP
- 3.6
- 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
LogP3.49
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- Boiling point
- 335 · 335.0±42.0 °C(Predicted)
- Density
- 1.672 · 1.672±0.06 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.10(Predicted)
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Related reactions
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Compound notes
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