2,5-Difluorophenol

C₆H₄F₂OCAS 2713-31-7130.09 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄F₂O
Molar mass: 130.09 g/mol
Exact mass: 130.0230 Da
Melting point: 41–42.5 °C
logP: 1.67Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation91.7% of notifiers
H319 Causes serious eye irritation91.7% of notifiers
H332 Harmful if inhaled91.7% of notifiers
H335 May cause respiratory irritation89.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, 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, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

2713-31-7

SMILES

Oc1cc(F)ccc1F

InChIKey

INXKVYFOWNAVMU-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

Weigh it out

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

Names and synonyms

2 names

Phenol, 2,5-difluoro-
NSC 10288

Work with 2,5-Difluorophenol

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

4-Fluoro-1,2-benzenediol367-32-865 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-360 % similar 2-Chloro-5-fluorophenol3827-49-458 % similar 1,2,4-Trifluorobenzene367-23-757 % similar 5-Bromo-2-fluorophenol112204-58-756 % similar 2-Bromo-5-fluorophenol147460-41-156 % similar 5-Fluoro-2-methylphenol452-85-756 % similar 2-Amino-5-fluorophenol53981-24-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Difluorophenol2713-33-9 3,5-Difluorophenol2713-34-0 2,6-Difluorophenol28177-48-2 2,4-Difluorophenol367-27-1 2,3-Difluorophenol6418-38-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook