2,4,6-Tris(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
185412-89-9- Standard SMILES
FC(F)(F)c1cc(C(F)(F)F)c2nc(C(F)(F)F)[nH]c2c1- InChIKey
MEEVIQWEFKEULO-UHFFFAOYSA-N- Molecular formula
- C10H3F9N2
- Average molar mass
- 322.13 g/mol
- Monoisotopic mass
- 322.01525156
Names & identifiers
- Preferred name
- 2,4,6-Tris(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 2,4,6-tris(trifluoromethyl)-1H-benzimidazole
- English name
- 2,4,6-Tris(trifluoromethyl)-benzimidazole
- Molecular formula
- C10H3F9N2
- Molecular weight
- 322.13
Names & synonyms
185412-89-92,4,6-Tris(trifluoromethyl)-1H-benzimidazole2,4,6-TRIS(TRIFLUOROMETHYL)-BENZIMIDAZOLE2,4,6-Tris-(trifluoromethyl)benzimidazoleMFCD049730282,4,6-tris(trifluoromethyl)-1H-benzo[d]imidazole2,4,6-TRIS(TRIFLUOROMETHYL)BENZIMIDAZOLESCHEMBL20623233C10H3F9N2DTXSID50659461AKOS0159116982,4,6-Tris(trifluoromethyl)-1H-1,3-benzimidazole
Show more names
2,5,7-tris(trifluoromethyl)-3aH-benzimidazole1H-Benzimidazole, 2,5,7-tris(trifluoromethyl)-
Database identifiers
- CAS
185412-89-9- PubChem CID
- 44558593
- DTXSID
DTXSID50659461
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 255.113 · 255.113±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.277 · 6.277±0.10(predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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