chempirical

Hydroxymethylfurfural

C6H6O3CAS 67-47-0126.11 g/mol

Open in Covalent MOL file
OOHO
AlcoholAldehyde

Properties

Molecular formula
C6H6O3
Molar mass
126.11 g/mol
Exact mass
126.0317 Da
Density
1.2062 g/mL (at 25 °C)
Melting point
31.5 °C
Boiling point
115 °C
logP
0.58Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 344 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
67-47-0
SMILES
O=Cc1ccc(CO)o1
InChIKey
NOEGNKMFWQHSLB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2

Weigh it out

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Names and synonyms

25 names · show all
  • 2-Furancarboxaldehyde, 5-(hydroxymethyl)-
  • 2-Furaldehyde, 5-(hydroxymethyl)-
  • 5-(Hydroxymethyl)-2-furancarboxaldehyde
  • HMF
  • 5-Hydroxymethyl-2-formylfuran
  • 5-Hydroxymethylfuraldehyde
  • 5-(Hydroxymethyl)-2-furaldehyde
  • 5-(Hydroxymethyl)-2-furancarbonal
  • 5-(Hydroxymethyl)-2-furfural
  • 5-(Hydroxymethyl)furfural
  • 5-Oxymethylfurfurole
  • 5-(Hydroxymethyl)-2-furfuraldehyde
  • 5-Hydroxymethylfuran-2-aldehyde
  • Hydroxymethylfurfuraldehyde
  • 5-Hydroxymethylfurfuraldehyde
  • 2-Hydroxymethyl-5-furfural
  • Hydroxymethylfurfuralaldehyde
  • NSC 40738
  • 5-Hydroxymethylfurfurol
  • 2-Formyl-5-hydroxymethylfuran
  • 5-(Hydroxymethyl)furancarboxaldehyde
  • Aes 103
  • Hydroxymethylfuraldehyde
  • BAX 555
  • 5-Hmf

Work with Hydroxymethylfurfural

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

5-Ethyl-2-furaldehyde23074-10-460 % similar 2,5-Bis(hydroxymethyl)furan1883-75-656 % similar 2,5-Furandicarboxaldehyde823-82-556 % similar 5-(Acetoxymethyl)-2-furaldehyde10551-58-347 % similar 5-Methyl-2-furanmethanol3857-25-845 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-643 % similar 5-Nitrofurfural698-63-539 % similar 5-(Dimethylaminomethyl)-2-furanmethanol hydrochloride81074-81-938 % similar

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

Same formula

Phloroglucinol108-73-6 Maltol118-71-8 Methyl furan-3-carboxylate13129-23-2 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-8 Hydroxyquinol533-73-3 Methyl 2-furoate611-13-2

Elsewhere

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