4-Bromo-2-chloro-6-fluorophenol

C₆H₃BrClFOCAS 161045-79-0225.44 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃BrClFO
Molar mass: 225.44 g/mol
Exact mass: 223.9040 Da
logP: 2.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

161045-79-0

SMILES

Oc1c(F)cc(Br)cc1Cl

InChIKey

QEYONPKSDTUPAX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClFO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Weigh it out

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

Names and synonyms

1 names

Phenol, 4-bromo-2-chloro-6-fluoro-

Work with 4-Bromo-2-chloro-6-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-2,6-difluorophenol104197-13-969 % similar 4-Bromo-2,6-dichlorophenol3217-15-069 % similar 2,4-Dibromo-6-fluorophenol576-86-360 % similar 4-Bromo-6-chloro-2-cresol7530-27-056 % similar 2-Chloro-6-fluorophenol2040-90-653 % similar 5-Bromo-1,3-dichloro-2-fluorobenzene17318-08-052 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-652 % similar 4-Bromo-1-chloro-2-fluorobenzene60811-18-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-chloro-6-fluorophenol886499-88-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook