3,5-Dibromophenol

C6H4Br2OCAS 626-41-5251.91 g/mol

Open in Covalent MOL file
OHBrBr
Aryl halidePhenol

Properties

Molecular formula
C6H4Br2O
Molar mass
251.91 g/mol
Exact mass
249.8629 Da
Melting point
81 °C
Boiling point
274 °C
logP
2.92Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
626-41-5
SMILES
Oc1cc(Br)cc(Br)c1
InChIKey
PZFMWYNHJFZBPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

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Names and synonyms

2 names
  • 1-Hydroxy-3,5-dibromobenzene
  • Phenol, 3,5-dibromo-

Work with 3,5-Dibromophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromoresorcinol106120-04-188 % similar 3-Bromo-5-fluorophenol433939-27-664 % similar 3-Bromo-5-chlorophenol56962-04-064 % similar 1,3,5-Tribromobenzene626-39-160 % similar 3-Bromophenol591-20-855 % similar 3-Bromo-5-hydroxybenzoic acid140472-69-154 % similar 4-Bromophenol106-41-253 % similar 5-Bromo-3-pyridinol74115-13-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromophenol608-33-3 2,4-Dibromophenol615-58-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook