Pentabromophenol

C₆HBr₅OCAS 608-71-9488.59 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆HBr₅O
Molar mass: 488.59 g/mol
Exact mass: 483.5944 Da
Melting point: 229.5 °C
pKa: 4.62
Water solubility: insoluble
logP: 5.20Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

608-71-9

SMILES

Oc1c(Br)c(Br)c(Br)c(Br)c1Br

InChIKey

SVHOVVJFOWGYJO-UHFFFAOYSA-N

InChI

InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Weigh it out

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

Names and synonyms

7 names

Phenol, 2,3,4,5,6-pentabromo-
Phenol, pentabromo-
2,3,4,5,6-Pentabromophenol
Flammex 5BP
Bromophenasic acid
NSC 5717
Perbromophenol

Work with Pentabromophenol

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

2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-692 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-861 % similar 3,4,5,6-Tetrabromo-o-cresol576-55-658 % similar Hexabromobenzene87-82-150 % similar 2,4,6-Tribromoresorcinol2437-49-245 % similar 2,3,6-Tribromo-4-methylphenol36776-51-940 % similar Benzenehexol608-80-038 % similar 2,6-Dibromophenol608-33-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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