4-Bromo-2-chlorobenzaldehyde

C₇H₄BrClOCAS 158435-41-7219.46 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 swallowed11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 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

158435-41-7

SMILES

C1=CC(=C(C=C1Br)Cl)C=O

InChIKey

DHGPLNJITGVCSG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-bromobenzaldehyde

Work with 4-Bromo-2-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-Chloro-4-hydroxybenzaldehyde56962-11-961 % similar 2,4-Dichlorobenzaldehyde874-42-060 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-358 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-156 % similar 2-Amino-4-bromobenzaldehyde59278-65-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 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 2-Bromobenzoyl chloride7154-66-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook