2,6-Dibromobenzaldehyde

C₇H₄Br₂OCAS 67713-23-9263.92 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄Br₂O
Molar mass: 263.92 g/mol
Exact mass: 261.8629 Da
logP: 3.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67713-23-9

SMILES

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

InChIKey

YDYNSAUGVGAOLO-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H

Weigh it out

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

Work with 2,6-Dibromobenzaldehyde

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-Bromo-6-hydroxybenzaldehyde22532-61-271 % similar 2-Bromo-6-chlorobenzaldehyde64622-16-871 % similar 2-Bromo-6-fluorobenzaldehyde360575-28-668 % similar 3,5-Dibromopyridine-4-carboxaldehyde70201-42-258 % similar 2-Bromo-6-nitrobenzaldehyde20357-21-557 % similar 2-Bromobenzaldehyde6630-33-754 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-152 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromobenzaldehyde56990-02-4 3,4-Dibromobenzaldehyde74003-55-7 2,5-Dibromobenzaldehyde74553-29-0

Elsewhere

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