2,6-Difluorophenol
Properties
- Molecular formula
- C6H4F2O
- Molar mass
- 130.09 g/mol
- Exact mass
- 130.0230 Da
- Melting point
- 38–41 °C
- Boiling point
- 59–61 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid98% of notifiers
- H302 Harmful if swallowed16.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H314 Causes severe skin burns and eye damage10.2% of notifiers
- H315 Causes skin irritation89.8% of notifiers
- H319 Causes serious eye irritation87.8% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
28177-48-2SMILES
Oc1c(F)cccc1FInChIKey
CKKOVFGIBXCEIJ-UHFFFAOYSA-NInChI
InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Phenol, 2,6-difluoro-
Work with 2,6-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Fluoro-1,2-benzenediol363-52-071 % similar
2-Bromo-6-fluorophenol2040-89-368 % similar
2-Chloro-6-fluorophenol2040-90-668 % similar
2-Amino-6-fluorophenol53981-25-265 % similar
3-Fluorosalicylaldehyde394-50-358 % similar
2-Fluoro-6-methoxyphenol73943-41-658 % similar
2-Chloro-3,6-difluorophenol261762-50-957 % similar
2,3,6-Trifluorophenol113798-74-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.