3-Bromo-2-fluorophenol

C₆H₄BrFOCAS 156682-53-0191.00 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
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

156682-53-0

SMILES

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

InChIKey

MEZFCUMYQXLFOV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-fluoro-phenol

Work with 3-Bromo-2-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

4-Bromo-2,3-difluorophenol144292-32-068 % similar 2,3-Difluorophenol6418-38-858 % similar 3-Chloro-2-fluorophenol2613-22-156 % similar 2-Bromophenol95-56-754 % similar 3-Bromobenzene-1,2-diol14381-51-254 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 2-Fluoro-3-methylphenol77772-72-654 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-952 % 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 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 3-Bromo-4-fluorophenol27407-11-0 3-Bromo-5-fluorophenol433939-27-6 2-Bromo-3-fluorophenol443-81-2

Elsewhere

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