4,5-Dibromofuran-2-carbaldehyde

C₅H₂Br₂O₂CAS 2433-85-4253.88 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₂Br₂O₂
Molar mass: 253.88 g/mol
Exact mass: 251.8422 Da
logP: 2.62Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

2433-85-4

SMILES

C1=C(OC(=C1Br)Br)C=O

InChIKey

CRHHCCZDQZBLPL-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H

Weigh it out

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Names and synonyms

1 names

4,5-Dibromo-2-furaldehyde

Work with 4,5-Dibromofuran-2-carbaldehyde

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-Dibromo-1,4-benzenedicarboxaldehyde63525-48-443 % similar 5-Bromo-2-furaldehyde1899-24-742 % similar 2,5-Furandicarboxaldehyde823-82-541 % similar 4-Bromo-2-furaldehyde21921-76-641 % similar 4,5-Dibromofuran-2-carboxylic acid2434-03-940 % similar 4,5-Dimethyl-2-furaldehyde52480-43-039 % similar 2,5-Dibromobenzaldehyde74553-29-039 % similar 2-Benzofurancarboxaldehyde4265-16-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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