4-Bromo-2-furaldehyde

C₅H₃BrO₂CAS 21921-76-6174.98 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃BrO₂
Molar mass: 174.98 g/mol
Exact mass: 173.9316 Da
logP: 1.85Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.7% of notifiers
H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction87% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21921-76-6

SMILES

C1=C(OC=C1Br)C=O

InChIKey

MRGBBKQOSUHKPF-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H

Weigh it out

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

Work with 4-Bromo-2-furaldehyde

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

5-Formylfuran-3-boronic acid62306-80-347 % similar 5-Bromoisophthalaldehyde120173-41-343 % similar 3,5-Dibromobenzaldehyde56990-02-443 % similar 4,5-Dibromofuran-2-carbaldehyde2433-85-441 % similar 2,5-Dibromobenzaldehyde74553-29-041 % similar 5-(4-Bromophenyl)furfural20005-42-940 % similar 4-Bromo-2-thiophenecarboxaldehyde18791-75-839 % similar 5-Bromosalicylaldehyde1761-61-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-formylfuran14757-78-9 5-Bromo-2-furaldehyde1899-24-7

Elsewhere

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