3,4-Difluorophenol

C6H4F2OCAS 2713-33-9130.09 g/mol

Open in Covalent MOL file
HOFF
Aryl halidePhenol

Properties

Molecular formula
C6H4F2O
Molar mass
130.09 g/mol
Exact mass
130.0230 Da
logP
1.67Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P405, P501

Identifiers

CAS number
2713-33-9
SMILES
Oc1ccc(F)c(F)c1
InChIKey
BNPWVUJOPCGHIK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

Weigh it out

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

Names and synonyms

2 names
  • Phenol, 3,4-difluoro-
  • 4,5-Difluorophenol

Work with 3,4-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-1,3-dihydroxybenzene103068-41-365 % similar 4-Bromo-3-fluorophenol121219-03-260 % similar 3-Chloro-4-fluorophenol2613-23-260 % similar 3-Bromo-4-fluorophenol27407-11-060 % similar 4-Chloro-3-fluorophenol348-60-760 % similar 4-Amino-3-fluorophenol399-95-160 % similar 4-Fluoro-3-methylphenol452-70-060 % similar 3-Fluoro-4-methylphenol452-78-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluorophenol2713-31-7 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