3,5-Difluorophenol

C₆H₄F₂OCAS 2713-34-0130.09 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: 54.97 °C
logP: 1.67Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.9% of notifiers
H312 Harmful in contact with skin95.9% of notifiers
H315 Causes skin irritation91.8% of notifiers
H319 Causes serious eye irritation91.8% of notifiers
H332 Harmful if inhaled87.8% of notifiers
H335 May cause respiratory irritation89.8% of notifiers

Aggregated from 49 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

2713-34-0

SMILES

Oc1cc(F)cc(F)c1

InChIKey

HJSSBIMVTMYKPD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Phenol, 3,5-difluoro-

Work with 3,5-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

3-Fluoro-5-methylphenol216976-31-767 % similar 3-Chloro-5-fluorophenol202982-70-564 % similar 3-Bromo-5-fluorophenol433939-27-664 % similar 1,3,5-Trifluorobenzene372-38-360 % similar 3-Fluoro-5-(trifluoromethyl)phenol172333-87-858 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-758 % similar 3-Fluorophenol372-20-357 % similar 3-Fluoro-5-hydroxypyridine209328-55-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluorophenol2713-31-7 3,4-Difluorophenol2713-33-9 2,6-Difluorophenol28177-48-2 2,4-Difluorophenol367-27-1 2,3-Difluorophenol6418-38-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook