2-(Difluoromethyl)-6-methoxy-1H-benzo[d]imidazole
Basic information
- CAS
939773-89-4- Standard SMILES
COc1ccc2nc(C(F)F)[nH]c2c1- InChIKey
NHYCXXOUHKKMEB-UHFFFAOYSA-N- Molecular formula
- C9H8F2N2O
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.06046921
Names & identifiers
- Preferred name
- 2-(Difluoromethyl)-6-methoxy-1H-benzo[d]imidazole
- IUPAC
- 2-(difluoromethyl)-6-methoxy-1H-benzimidazole
- English name
- 2-(DifluoroMethyl)-6-Methoxy-1H-benzo[d]iMidazole
- Molecular formula
- C9H8F2N2O
- Molecular weight
- 198.17
Names & synonyms
2-(Difluoromethyl)-6-methoxy-1H-benzo[d]imidazole939773-89-42-(difluoromethyl)-6-methoxy-1H-benzimidazole2-(difluoromethyl)-6-methoxy-1H-1,3-benzodiazoleDTXSID00734757AKOS013650167DB-3462562-(Difluoromethyl)-6-methoxy-1H-1,3-benzimidazole1H-Benzimidazole, 2-(difluoromethyl)-6-methoxy-
Database identifiers
- CAS
939773-89-4- PubChem CID
- 64327701
- DTXSID
DTXSID00734757- Nikkaji
- J2.450.590A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 349.6 · 349.6±42.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.35 · 9.35±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P310
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P261-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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