2-Bromo-3-fluorophenol

C₆H₄BrFOCAS 443-81-2191.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrFO
Molar mass: 191.00 g/mol
Exact mass: 189.9430 Da
Boiling point: 123 °C (at 50 Torr)
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

443-81-2

SMILES

Oc1cccc(F)c1Br

InChIKey

LMFRSLRJXLATRL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrFO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H

Weigh it out

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

Names and synonyms

1 names

Phenol, 2-bromo-3-fluoro-

Work with 2-Bromo-3-fluorophenol

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-Bromo-1,3-difluorobenzene64248-56-265 % similar 2-Bromoresorcinol6751-75-365 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-858 % similar 2-Fluorophenol367-12-456 % similar 3-Fluoro-1,2-benzenediol363-52-056 % similar 2,3-Difluorophenol6418-38-856 % similar 2-Bromo-1-chloro-3-fluorobenzene309721-44-654 % similar 2-Chloro-3-fluorophenol863870-86-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-fluorophenol112204-58-7 4-Bromo-3-fluorophenol121219-03-2 2-Bromo-5-fluorophenol147460-41-1 3-Bromo-2-fluorophenol156682-53-0 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 3-Bromo-4-fluorophenol27407-11-0 3-Bromo-5-fluorophenol433939-27-6

Elsewhere

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