3-Fluorobenzyl alcohol
Properties
- Molecular formula
- C7H7FO
- Molar mass
- 126.13 g/mol
- Exact mass
- 126.0481 Da
- Melting point
- 115–119 °C
- Boiling point
- 201 °C
- logP
- 1.32Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed20% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H332 Harmful if inhaled20% of notifiers
- H335 May cause respiratory irritation60% of notifiers
Aggregated from 5 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
456-47-3SMILES
OCc1cccc(F)c1InChIKey
QDHRSLFSDGCJFX-UHFFFAOYSA-NInChI
InChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenemethanol, 3-fluoro-
- Benzyl alcohol, m-fluoro-
- 3-Fluorobenzenemethanol
- m-Fluorobenzyl alcohol
- NSC 158273
- (3-Fluorophenyl)methanol
- 3-Fluorobenzylic alcohol
Work with 3-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
1,3-Benzenedimethanol626-18-668 % similar
3-Fluorophenethyl alcohol52059-53-763 % similar
3,5-Difluorobenzyl alcohol79538-20-863 % similar
4-Fluorobenzyl alcohol459-56-356 % similar
3-Fluorobenzylamine100-82-356 % similar
3-Fluorobenzyl bromide456-41-756 % similar
3-Fluorobenzyl chloride456-42-856 % similar
3-Hydroxybenzyl alcohol620-24-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.