2-Bromo-5-hydroxybenzaldehyde

C₇H₅BrO₂CAS 2973-80-0201.02 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
Melting point: 135 °C
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

2973-80-0

SMILES

O=Cc1cc(O)ccc1Br

InChIKey

SCRQAWQJSSKCFN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 2-bromo-5-hydroxy-
6-Bromo-3-hydroxybenzaldehyde
5-Hydroxy-2-bromobenzaldehyde

Work with 2-Bromo-5-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

2,5-Dibromobenzaldehyde74553-29-066 % similar 2,5-Dihydroxybenzaldehyde1194-98-560 % similar 2,4-Dihydroxybenzaldehyde95-01-257 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-456 % similar 2-Bromo-5-methylbenzaldehyde90221-55-956 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-356 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-456 % similar 2-Bromobenzaldehyde6630-33-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromosalicylaldehyde1761-61-1 5-Bromosalicylaldehyde17691-61-1 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook