4-Bromo-3,5-difluorophenol

C₆H₃BrF₂OCAS 130191-91-2208.99 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
logP: 2.43Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed81.8% of notifiers
H312 Harmful in contact with skin81.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled27.3% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 11 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

130191-91-2

SMILES

C1=C(C=C(C(=C1F)Br)F)O

InChIKey

HHGOLZGZHXELSW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-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

1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-257 % similar 3,4,5-Trifluorophenol99627-05-157 % similar 4-Chloro-3,5-difluorophenol2268-03-354 % similar 2-Bromo-1,3-difluoro-5-iodobenzene155906-10-852 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 3,4-Difluorophenol2713-33-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorophenol104197-13-9 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 2-Bromo-4,6-difluorophenol98130-56-4

Elsewhere

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