4-Fluorobenzeneethanol

C₈H₉FOCAS 7589-27-7140.16 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉FO
Molar mass: 140.16 g/mol
Exact mass: 140.0637 Da
Density: 1.137 g/mL (at 20 °C)
Boiling point: 117–118 °C (at 20 Torr)
logP: 1.36Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7589-27-7

SMILES

OCCc1ccc(F)cc1

InChIKey

MWUVGXCUHWKQJE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2

Weigh it out

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

Names and synonyms

7 names

Benzeneethanol, 4-fluoro-
Phenethyl alcohol, p-fluoro-
p-Fluorophenethyl alcohol
2-(4-Fluorophenyl)ethanol
4-Fluorophenethyl alcohol
2-(4-Fluorophenyl)ethyl alcohol
2-(4-Fluorophenyl)ethan-1-ol

Work with 4-Fluorobenzeneethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-Methylenebis[4-fluorobenzene]457-68-162 % similar 3-Fluorophenethyl alcohol52059-53-762 % similar 4-Fluorobenzyl alcohol459-56-361 % similar 2-(4-Fluorobenzylamino)ethanol22116-33-257 % similar Tyrosol501-94-054 % similar 1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine174561-11-653 % similar Phenethyl alcohol60-12-852 % similar 2-(4-Aminophenyl)ethanol104-10-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(4-Fluorophenyl)ethanol101219-68-5 (-)-1-(4-Fluorophenyl)ethanol101219-73-2 (S)-1-(2-Fluorophenyl)ethanol171032-87-4 3-Fluoro-4-methylbenzyl alcohol192702-79-7 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-alpha-methylbenzenemethanol402-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook