2-Formylfuran-5-boronic acid

C₅H₅BO₄CAS 27329-70-0139.90 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid

Properties

Molecular formula: C₅H₅BO₄
Molar mass: 139.90 g/mol
Exact mass: 140.0281 Da
logP: -1.23Crippen estimate
Polar surface area: 70.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage87.2% of notifiers
H315 Causes skin irritation14.9% of notifiers
H319 Causes serious eye irritation14.9% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

27329-70-0

SMILES

B(C1=CC=C(O1)C=O)(O)O

InChIKey

JUWYQISLQJRRNT-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

1 names

5-Formylfuran-2-boronic acid

Work with 2-Formylfuran-5-boronic acid

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-Furandicarboxaldehyde823-82-556 % similar 5-Chloro-2-furaldehyde21508-19-050 % similar 5-Iodo-2-furancarboxaldehyde2689-65-850 % similar Hydroxymethylfurfural67-47-045 % similar 5-Bromo-2-furaldehyde1899-24-745 % similar 5-Methylfurfural620-02-045 % similar 5-Methyl-2-furanboronic Acid62306-79-045 % similar 5-Formyl-2-furancarboxylic acid13529-17-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Formylfuran-2-boronic acid27339-38-4 5-Formylfuran-3-boronic acid62306-80-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook