3-Bromo-2-hydroxybenzaldehyde

C₇H₅BrO₂CAS 1829-34-1201.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₅BrO₂
Molar mass: 201.02 g/mol
Exact mass: 199.9473 Da
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1829-34-1

SMILES

C1=CC(=C(C(=C1)Br)O)C=O

InChIKey

STBGLXMINLWCNL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H

Weigh it out

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

Reactions

Ortho-formylation of phenols; preparation of 3-bromosalicylaldehyde (3-Bromo-2-hydroxybenzaldehyde)product

Work with 3-Bromo-2-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

2,3-Dihydroxybenzaldehyde24677-78-962 % similar 2-Bromobenzaldehyde6630-33-759 % similar 3-Methylsalicylaldehyde824-42-058 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-558 % similar 3,5-Dibromosalicylaldehyde90-59-556 % similar 2,6-Dibromophenol608-33-356 % similar Ortho-vanillin148-53-853 % similar 2,3,4-Trihydroxybenzaldehyde2144-08-350 % similar

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

Same formula

5-Bromosalicylaldehyde1761-61-1 5-Bromosalicylaldehyde17691-61-1 4-Bromo-3-hydroxybenzaldehyde20035-32-9 2-Bromo-4-hydroxybenzaldehyde22532-60-1 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4 3-Bromo-4-hydroxybenzaldehyde2973-78-6 2-Bromo-5-hydroxybenzaldehyde2973-80-0

Elsewhere

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