3,5-Dibromophenol

C₆H₄Br₂OCAS 626-41-5251.91 g/mol

Open in Covalent MOL file

Aryl halide Phenol

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

Weigh it out

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

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-chlorophenol56962-04-064 % similar 1,3,5-Tribromobenzene626-39-160 % similar 3-Bromophenol591-20-855 % similar 4-Bromophenol106-41-253 % similar 5-Bromo-3-pyridinol74115-13-252 % similar Phloroglucinol108-73-650 % similar 2,4,6-Tribromophenol118-79-645 % 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