N-Phenyl 2-bromo-5-fluorobenzamide
Basic information
- CAS
949443-48-5- Standard SMILES
O=C(Nc1ccccc1)c1cc(F)ccc1Br- InChIKey
VQCCPYHMYIDTKO-UHFFFAOYSA-N- Molecular formula
- C13H9BrFNO
- Average molar mass
- 294.12 g/mol
- Monoisotopic mass
- 292.98515
Names & identifiers
- Preferred name
- N-Phenyl 2-bromo-5-fluorobenzamide
- IUPAC
- 2-bromo-5-fluoro-N-phenylbenzamide
- English name
- 2-Bromo-N-phenyl-5-fluorobenzamide
- Molecular formula
- C13H9BrFNO
- Molecular weight
- 294.12
Names & synonyms
2-bromo-5-fluoro-N-phenylbenzamide949443-48-5N-Phenyl 2-bromo-5-fluorobenzamideMFCD09800907DTXSID004293382-bromo-5-fluoro-N-phenyl-benzamideAKOS000185572BS-24860DB-371605N-PHENYL-2-BROMO-5-FLUOROBENZAMIDECS-0211216Z99077369
Show more names
2-Bromo-N-phenyl-5-fluorobenzamideBenzamide, 2-bromo-5-fluoro-N-phenyl-
Database identifiers
- CAS
949443-48-5- PubChem CID
- 9138299
- DTXSID
DTXSID00429338
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 312.1 · 312.1±32.0 °C(Predicted)
- Density
- 1.558 · 1.558±0.06 g/cm3(Predicted)
- pka
- 12.27 · 12.27±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- 2924297099
- 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
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