1-(2-Bromo-4-fluorophenyl)-1H-pyrrole
Basic information
- CAS
383137-41-5- Standard SMILES
Fc1ccc(-n2cccc2)c(Br)c1- InChIKey
XPKKSELXAGBMIA-UHFFFAOYSA-N- Molecular formula
- C10H7BrFN
- Average molar mass
- 240.07 g/mol
- Monoisotopic mass
- 238.97459
Names & identifiers
- Preferred name
- 1-(2-Bromo-4-fluorophenyl)-1H-pyrrole
- IUPAC
- 1-(2-bromo-4-fluorophenyl)pyrrole
- English name
- 1-(2-bromo-4-fluorophenyl)-1H-pyrrole
- Molecular formula
- C10H7BrFN
- Molecular weight
- 240.07
Names & synonyms
1-(2-Bromo-4-fluorophenyl)-1H-pyrrole383137-41-51-(2-bromo-4-fluorophenyl)pyrroleMFCD02665224DTXSID806531791-(2-bromo-4-fluoro-phenyl)pyrroleSB62392DA-06274CS-0191783F6296001H-Pyrrole, 1-(2-bromo-4-fluorophenyl)-
Database identifiers
- CAS
383137-41-5- PubChem CID
- 36688015
- DTXSID
DTXSID80653179- Nikkaji
- J2.463.733F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 284.4 · 284.4±30.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- -6.57 · -6.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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