1-Ethyl-4-fluorobenzene

C8H9FCAS 459-47-2124.16 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C8H9F
Molar mass
124.16 g/mol
Exact mass
124.0688 Da
Density
0.994 g/mL (at 0 °C)
Boiling point
141 °C
logP
2.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
459-47-2
SMILES
CCc1ccc(F)cc1
InChIKey
BLDNWXVISIXWKZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Benzene, 1-ethyl-4-fluoro-
  • p-Fluoroethylbenzene
  • 4-Fluoroethylbenzene
  • 4-Ethylfluorobenzene
  • 1-Fluoro-4-ethylbenzene

Work with 1-Ethyl-4-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

1,4-Diethylbenzene105-05-567 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar 1-Ethyl-3,5-difluorobenzene117358-52-857 % similar 4-Ethylbenzyl chloride1467-05-657 % similar 1-Fluoro-4-pentylbenzene28593-14-854 % similar 4-Fluorobenzyl chloride352-11-452 % similar 4-Ethyltoluene622-96-852 % similar Ethylbenzene100-41-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-o-xylene443-82-3 2-Fluoro-1,3-dimethylbenzene443-88-9 4-Fluoro-1,2-dimethylbenzene452-64-2 5-Fluoro-M-xylene461-97-2

Elsewhere

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