2,4,6-Tribromo-3-hydroxybenzaldehyde

C₇H₃Br₃O₂CAS 2737-22-6358.81 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₃Br₃O₂
Molar mass: 358.81 g/mol
Exact mass: 355.7683 Da
Melting point: 119.5 °C
logP: 3.49Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2737-22-6

SMILES

O=Cc1c(Br)cc(Br)c(O)c1Br

InChIKey

FAWOIFAFFUDNJX-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2,4,6-tribromo-3-hydroxy-

Work with 2,4,6-Tribromo-3-hydroxybenzaldehyde

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

2,4,6-Tribromoresorcinol2437-49-259 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-555 % similar 3,5-Dibromosalicylaldehyde90-59-549 % similar 2,4,6-Tribromo-3-methylphenol4619-74-348 % similar 3-Hydroxy-2,4,6-tribromobenzoic acid14348-40-446 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-546 % similar 2-Bromo-6-hydroxybenzaldehyde22532-61-244 % similar 2,3,6-Tribromo-4-methylphenol36776-51-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Tribromobenzoic acid633-12-5

Elsewhere

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