2-Bromo-4,6-difluorophenol

C₆H₃BrF₂OCAS 98130-56-4208.99 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃BrF₂O
Molar mass: 208.99 g/mol
Exact mass: 207.9335 Da
Boiling point: 53 °C (at 1 Torr)
logP: 2.43Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98130-56-4

SMILES

Oc1c(F)cc(F)cc1Br

InChIKey

YDRZYJATKMBSJX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H

Weigh it out

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

Names and synonyms

1 names

Phenol, 2-bromo-4,6-difluoro-

Work with 2-Bromo-4,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dibromo-4-fluorophenol344-20-775 % similar 2,4,6-Trifluorophenol2268-17-967 % similar 2,4-Dibromo-6-fluorophenol576-86-364 % similar 2-Bromo-4-chloro-6-fluorophenol886499-88-360 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-957 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-557 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-357 % similar 2-Amino-4,6-difluorophenol133788-83-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorophenol104197-13-9 4-Bromo-3,5-difluorophenol130191-91-2 4-Bromo-2,3-difluorophenol144292-32-0 2-Bromo-4,5-difluorophenol166281-37-4 5-Bromo-2,3-difluorophenol186590-26-1 2-Bromo-3,5-difluorophenol325486-43-9 5-Bromo-2,4-difluorophenol355423-48-2 4-Bromo-2,5-difluorophenol486424-36-6

Elsewhere

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