5-Bromosalicylaldehyde

C7H5BrO2CAS 1761-61-1201.02 g/mol

Open in Covalent MOL file
OBrHO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5BrO2
Molar mass
201.02 g/mol
Exact mass
199.9473 Da
Melting point
105 °C
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
1761-61-1
SMILES
O=Cc1cc(Br)ccc1O
InChIKey
MKKSTJKBKNCMRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

Weigh it out

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

Names and synonyms

8 names
  • Benzaldehyde, 5-bromo-2-hydroxy-
  • Salicylaldehyde, 5-bromo-
  • 5-Bromo-2-hydroxybenzaldehyde
  • 2-Hydroxy-5-bromobenzaldehyde
  • 4-Bromo-2-formylphenol
  • 3-Bromo-6-hydroxybenzaldehyde
  • NSC 7310
  • NSC 9258

Work with 5-Bromosalicylaldehyde

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Bromosalicylaldehyde17691-61-1

Similar compounds

2,5-Dihydroxybenzaldehyde1194-98-566 % similar 4-Hydroxyisophthalaldehyde3328-70-960 % similar 2,5-Dibromobenzaldehyde74553-29-060 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-756 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-356 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 2-Amino-5-bromobenzaldehyde29124-57-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-hydroxybenzaldehyde1829-34-1 4-Bromo-3-hydroxybenzaldehyde20035-32-9 2-Bromo-4-hydroxybenzaldehyde22532-60-1 2-Bromo-6-hydroxybenzaldehyde22532-61-2 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4 3-Bromo-4-hydroxybenzaldehyde2973-78-6

Elsewhere

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