Basic information
- CAS
89426-96-0- Standard SMILES
Fc1cc2[nH]c(C(F)(F)F)nc2cc1Cl- InChIKey
LRLCGSNWJZYZLV-UHFFFAOYSA-N- Molecular formula
- C8H3ClF4N2
- Average molar mass
- 238.57 g/mol
- Monoisotopic mass
- 237.9920884
Names & identifiers
- Preferred name
- Benzimidazole, 6-chloro-5-fluoro-2-(trifluoromethyl)-
- IUPAC
- 5-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 6-Chloro-5-fluoro-2-(trifluoromethyl)-1H-benzimidazole
- Molecular formula
- C8H3ClF4N2
- Molecular weight
- 238.57
Names & synonyms
89426-96-0Benzimidazole, 6-chloro-5-fluoro-2-(trifluoromethyl)-6-Chloro-5-fluoro-2-(trifluoromethyl)benzimidazole1H-Benzimidazole, 5-chloro-6-fluoro-2-(trifluoromethyl)-DTXSID60237658RefChem:325979DTXCID101601496-CHLORO-5-FLUORO-2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE5-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazoleMFCD016584476-Chloro-5-fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazoleC8H3ClF4N2
Show more names
1H-Benzimidazole, 6-chloro-5-fluoro-2-(trifluoromethyl)-
AKOS0253123205-Chloro-6-fluoro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89426-96-0- PubChem CID
- 198633
- DTXSID
DTXSID60237658
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 307.4 · 307.4±42.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- pka
- 8.25 · 8.25±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
Chemistry & industry
Suppliers4 total
A.J Chemicals[email protected]
COMBI-BLOCKS[email protected]
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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