2,4,6-Tribromophenol

C₆H₃Br₃OCAS 118-79-6330.80 g/mol

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Aryl halide Phenol

Properties

Molecular formula: C₆H₃Br₃O
Molar mass: 330.80 g/mol
Exact mass: 327.7734 Da
Density: 2.55 g/mL (at 20 °C)
Melting point: 94–96 °C
Boiling point: 286 °C
logP: 3.68Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

118-79-6

SMILES

Oc1c(Br)cc(Br)cc1Br

InChIKey

BSWWXRFVMJHFBN-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Names and synonyms

7 names

Phenol, 2,4,6-tribromo-
Bromol
Bromkal pur 3
Flammex 3BP
1,3,5-Tribromo-2-hydroxybenzene
NSC 2136
PH 73

Work with 2,4,6-Tribromophenol

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

2,4-Dibromo-6-fluorophenol576-86-367 % similar 3,5-Dibromosalicylaldehyde90-59-559 % similar 2,6-Dibromo-4-methylphenol2432-14-657 % similar 2,6-Dibromo-4-fluorophenol344-20-757 % similar 4-Amino-2,6-dibromophenol609-21-257 % similar 3,5-Dibromosalicylic acid3147-55-555 % similar 2,4,6-Tribromoresorcinol2437-49-255 % similar 2,4-Dibromophenol615-58-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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