4-Bromo-2,6-dichlorophenol

C6H3BrCl2OCAS 3217-15-0241.89 g/mol

Open in Covalent MOL file
HOClBrCl
Aryl halidePhenol

Properties

Molecular formula
C6H3BrCl2O
Molar mass
241.89 g/mol
Exact mass
239.8744 Da
Melting point
54–58 °C
logP
3.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Identifiers

CAS number
3217-15-0
SMILES
Oc1c(Cl)cc(Br)cc1Cl
InChIKey
KGURSDWHGSLAPP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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

Names and synonyms

3 names
  • Phenol, 4-bromo-2,6-dichloro-
  • 2,6-Dichloro-4-bromophenol
  • NSC 74624

Work with 4-Bromo-2,6-dichlorophenol

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-chloro-6-fluorophenol161045-79-069 % similar 4-Bromo-6-chloro-2-cresol7530-27-069 % similar 5-Bromo-1,2,3-trichlorobenzene21928-51-857 % similar 2,4,6-Trichlorophenol88-06-257 % similar 2,6-Dichlorophenol87-65-055 % similar 2,6-Dichloro-4-methylphenol2432-12-454 % similar 4-Bromo-2-chlorophenol3964-56-554 % similar 5-Bromo-1,3-dichloro-2-fluorobenzene17318-08-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,5-dichlorophenol1940-42-7

Elsewhere

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