4-Fluorobenzyl alcohol
Properties
- Molecular formula
- C7H7FO
- Molar mass
- 126.13 g/mol
- Exact mass
- 126.0481 Da
- Melting point
- 23 °C
- Boiling point
- 210 °C
- logP
- 1.32Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
459-56-3SMILES
OCc1ccc(F)cc1InChIKey
GEZMEIHVFSWOCA-UHFFFAOYSA-NInChI
InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenemethanol, 4-fluoro-
- Benzyl alcohol, p-fluoro-
- 4-Fluorobenzenemethanol
- p-Fluorobenzyl alcohol
- (4-Fluorophenyl)methanol
- NSC 63347
- p-Fluorophenylmethanol
- 4-Fluorobenzylic alcohol
Work with 4-Fluorobenzyl alcohol
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-Benzenedimethanol589-29-767 % similar
4-Fluorobenzeneethanol7589-27-761 % similar
4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar
1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar
4-(Chloromethyl)benzyl alcohol 9916473-35-157 % similar
3,5-Difluorobenzyl alcohol79538-20-857 % similar
3-Fluorobenzyl alcohol456-47-356 % similar
4-Fluorobenzyl chloride352-11-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.