1-(2-Bromo-4-fluorophenyl)-2,5-dimethylpyrrole
Basic information
- CAS
883514-29-2- Standard SMILES
Cc1ccc(C)n1-c1ccc(F)cc1Br- InChIKey
FAUJIJHPWBIQLE-UHFFFAOYSA-N- Molecular formula
- C12H11BrFN
- Average molar mass
- 268.12 g/mol
- Monoisotopic mass
- 267.00589
Names & identifiers
- Preferred name
- 1-(2-Bromo-4-fluorophenyl)-2,5-dimethylpyrrole
- IUPAC
- 1-(2-bromo-4-fluorophenyl)-2,5-dimethylpyrrole
- English name
- 1-(2-bromo-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole
- Molecular formula
- C12H11BrFN
- Molecular weight
- 268.12
Names & synonyms
883514-29-21-(2-Bromo-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole1-(2-BROMO-4-FLUOROPHENYL)-2,5-DIMETHYLPYRROLEMFCD06656497AKOS009265462SB63055CS-0192326E89998F6300781-(2-bromo-4-fluoro-phenyl)-2,5-dimethyl-pyrrole1H-Pyrrole, 1-(2-bromo-4-fluorophenyl)-2,5-dimethyl-
Database identifiers
- CAS
883514-29-2- PubChem CID
- 26188722
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 321.7 · 321.7±42.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -4.03 · -4.03±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
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Compound notes
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