2-Bromo-4-chlorobenzaldehyde

C₇H₄BrClOCAS 84459-33-6219.46 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄BrClO
Molar mass: 219.46 g/mol
Exact mass: 217.9134 Da
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H411 Toxic to aquatic life with long lasting effects92.9% 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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

84459-33-6

SMILES

C1=CC(=C(C=C1Cl)Br)C=O

InChIKey

AJOAHIKYBSZIEV-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H

Weigh it out

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

Work with 2-Bromo-4-chlorobenzaldehyde

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-Dichlorobenzaldehyde874-42-060 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-058 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-156 % similar 4-Chloro-2-methylbenzaldehyde40137-29-956 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-656 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-856 % similar 5-Chlorosalicylaldehyde635-93-856 % similar 2-Bromo-4-methylbenzaldehyde824-54-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromobenzoyl chloride1711-09-7 2-Bromo-5-chlorobenzaldehyde174265-12-4 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 4-Bromobenzoyl chloride586-75-4 2-Bromo-6-chlorobenzaldehyde64622-16-8

Elsewhere

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