Basic information
- CAS
2338-27-4- Standard SMILES
FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)cc2[nH]1- InChIKey
BXCSXZJKEJQDKS-UHFFFAOYSA-N- Molecular formula
- C8H2Cl3F3N2
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 287.923566
Names & identifiers
- Preferred name
- 5,6,7-Trichloro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 4,5,6-trichloro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 5,6,7-Trichloro-2-trifluoromethylbenzimidazole
- Molecular formula
- C8H2Cl3F3N2
- Molecular weight
- 289.47
Names & synonyms
2338-27-4Benzimidazole, 4,5,6-trichloro-2-(trifluoromethyl)-DTXSID70177935RefChem:1072169DTXCID301004265,6,7-Trichloro-2-(trifluoromethyl)-1H-benzimidazole4,5,6-trichloro-2-(trifluoromethyl)-1h-benzimidazole4,5,6-trichloro-2-trifluoromethylbenzimidazoleNC 27864,5,6-Trichloro-2-(trifluoromethyl)benzimidazole5,6,7-Trichloro-2-(trifluoromethyl)benzimidazole5,6,7-TRICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE
Show more names
NC-27861H-Benzimidazole, 5,6,7-trichloro-2-(trifluoromethyl)-
SCHEMBL9865737SCHEMBL9865741trichloro 2-trifluoromethyl-benzimidazole4,5,6-Trichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
2338-27-4- PubChem CID
- 75356
- DTXSID
DTXSID70177935- Nikkaji
- J41.298H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
LogP3.87
Physicochemical properties
- Boiling point
- 371.3 · 371.3±42.0 °C(Predicted)
- Density
- 1.76 · 1.760±0.06 g/cm3(Predicted)
- pka
- 5.81 · 5.81±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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