3-Furancarboxaldehyde

C5H4O2CAS 498-60-296.08 g/mol

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OO
Aldehyde

Properties

Molecular formula
C5H4O2
Molar mass
96.08 g/mol
Exact mass
96.0211 Da
Density
1.4945 g/mL (at 20 °C)
Melting point
148–149.5 °C
Boiling point
145 °C
logP
1.09Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
498-60-2
SMILES
O=Cc1ccoc1
InChIKey
AZVSIHIBYRHSLB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H

Weigh it out

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Names and synonyms

8 names
  • 3-Furaldehyde
  • 3-Formylfuran
  • 3-Furanaldehyde
  • 3-Furfural
  • 3-Furfuraldehyde
  • 3-Furylcarboxaldehyde
  • 3-Furylaldehyde
  • 3-Furancarbaldehyde

Work with 3-Furancarboxaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzenedicarboxaldehyde623-27-848 % similar 3-Furanacrylic acid39244-10-544 % similar Benzaldehyde100-52-742 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-842 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-641 % similar Isophthalaldehyde626-19-740 % similar Pyridine-4-carbaldehyde872-85-538 % similar 4-Carboxaldehydebenzocyclobutene112892-88-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha-Pyrone504-31-4 2-Cyclopentene-1,4-dione930-60-9 Furfural98-01-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook