Fluorobenzene
Properties
- Molecular formula
- C6H5F
- Molar mass
- 96.10 g/mol
- Exact mass
- 96.0375 Da
- Density
- 1.0465 g/mL (at 40 °C)
- Melting point
- −42.2 °C
- Boiling point
- 84.7 °C
- Flash point
- -15 °C
- Water solubility
- 1–10 g/L (20 °C)
- logP
- 1.83Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor99% of notifiers
- H318 Causes serious eye damage67% of notifiers
- H319 Causes serious eye irritation29.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects57.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects24.7% of notifiers
Aggregated from 300 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P337+P317, P370+P378, P391, P403+P235, P501
Identifiers
CAS number
462-06-6SMILES
Fc1ccccc1InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-NInChI
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzene, fluoro-
- Phenyl fluoride
- Monofluorobenzene
- NSC 68416
Reactions
Work with Fluorobenzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Fluorobiphenyl324-74-369 % similar
1,4-Difluorobenzene540-36-367 % similar
1-Fluoro-4-phenoxybenzene330-84-758 % similar
1,3-Difluorobenzene372-18-953 % similar
4-Fluorobenzophenone345-83-550 % similar
4-Fluoro-α-phenylbenzenemethanol365-22-050 % similar
Bis(4-fluorophenyl)phenylphosphine oxide54300-32-250 % similar
1,2-Difluorobenzene367-11-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds