2-Formylphenylboronic acid

C7H7BO3CAS 40138-16-7149.94 g/mol

Open in Covalent MOL file
BOHOHO
AldehydeBoronic acid

Properties

Molecular formula
C7H7BO3
Molar mass
149.94 g/mol
Exact mass
150.0488 Da
logP
-0.82Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
40138-16-7
SMILES
B(C1=CC=CC=C1C=O)(O)O
InChIKey
DGUWACLYDSWXRZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H

Weigh it out

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

Names and synonyms

1 names
  • 2-Formylbenzeneboronic acid

Work with 2-Formylphenylboronic 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

B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-967 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-463 % similar B-(2-Ethenylphenyl)boronic acid15016-42-961 % similar Phthalaldehyde643-79-857 % similar 4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)825644-26-656 % similar 5-Chloro-2-formylphenylboronic acid870238-36-156 % similar 4-Chloro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)913835-76-456 % similar 2-(2-Carboxyvinyl)benzeneboronic acid374105-86-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Formylphenylboronic acid87199-16-4 4-Formylphenylboronic acid87199-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook