2-(2-fluorophenyl)-1H-benzimidazole
Basic information
- CAS
321-51-7- Standard SMILES
Fc1ccccc1-c1nc2ccccc2[nH]1- InChIKey
ASFACGIBGAEFHS-UHFFFAOYSA-N- Molecular formula
- C13H9FN2
- Average molar mass
- 212.22 g/mol
- Monoisotopic mass
- 212.07497646
Names & identifiers
- Preferred name
- 2-(2-fluorophenyl)-1H-benzimidazole
- IUPAC
- 2-(2-fluorophenyl)-1H-benzimidazole
- English name
- 2-(2-fluorophenyl)-1H-benzimidazole
- Molecular formula
- C13H9FN2
- Molecular weight
- 212.22
Names & synonyms
321-51-72-(2-fluorophenyl)-1H-benzimidazoleDTXSID00352798RefChem:250666DTXCID203038632-(2-fluorophenyl)-1H-1,3-benzodiazole2-(2-fluorophenyl)-1h-benzo[d]imidazoleMFCD010862832-(2-fluorophenyl)benzimidazoleCambridge id 5804509MLS000712237SCHEMBL698815
Show more names
1H-Benzimidazole, 2-(2-fluorophenyl)-2-(2-Fluoro-phenyl)-1H-benzoimidazole
SCHEMBL2243125CHEMBL1525678SCHEMBL31027904HMS2690C22SBB046162STK002726AKOS0002755772-(2-flurophenyl)-1h-benzo[d]imidazole
Database identifiers
- CAS
321-51-7- PubChem CID
- 735513
- DTXSID
DTXSID00352798- ChEMBL
CHEMBL1525678
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Solubility>31.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 397 · 397.0±44.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 11.05 · 11.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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