3-Bromo-2-formylfuran

C₅H₃BrO₂CAS 14757-78-9174.98 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 swallowed92.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% 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, 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

14757-78-9

SMILES

C1=COC(=C1Br)C=O

InChIKey

KSAVZSUPQGDMRC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-furaldehyde

Work with 3-Bromo-2-formylfuran

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

2,6-Dibromobenzaldehyde67713-23-943 % similar 3-Bromothiophene-2-carboxaldehyde930-96-142 % similar 2-Bromobenzaldehyde6630-33-741 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-439 % similar 3,4-Dibromobenzaldehyde74003-55-739 % similar Furfural98-01-137 % similar 2-Bromo-6-hydroxybenzaldehyde22532-61-236 % similar 4,5-Dibromofuran-2-carbaldehyde2433-85-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-furaldehyde1899-24-7 4-Bromo-2-furaldehyde21921-76-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook