5-Bromo-2-methoxybenzaldehyde

C₈H₇BrO₂CAS 25016-01-7215.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇BrO₂
Molar mass: 215.05 g/mol
Exact mass: 213.9629 Da
Melting point: 114.5 °C
logP: 2.27Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 45 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

25016-01-7

SMILES

COc1ccc(Br)cc1C=O

InChIKey

IJIBRSFAXRFPPN-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names

Benzaldehyde, 5-bromo-2-methoxy-
o-Anisaldehyde, 5-bromo-
2-Methoxy-5-bromobenzaldehyde
5-Bromo-o-anisaldehyde
5-Bromo-2-anisaldehyde
3-Bromo-6-methoxybenzaldehyde
NSC 41186

Work with 5-Bromo-2-methoxybenzaldehyde

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

4-Bromo-2-methoxybenzaldehyde43192-33-277 % similar 2,5-Dimethoxybenzaldehyde93-02-768 % similar 5-Bromo-2-ethoxybenzaldehyde79636-94-566 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-163 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-662 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-162 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-862 % similar 5-Bromo-2-hydroxy-3-methoxybenzaldehyde5034-74-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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