4-Formylphenylboronic acid

C7H7BO3CAS 87199-17-5149.94 g/mol

Open in Covalent MOL file
OBOHOH
AldehydeBoronic acid

Properties

Molecular formula
C7H7BO3
Molar mass
149.94 g/mol
Exact mass
150.0488 Da
Melting point
128–130 °C
logP
-0.82Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 005-014-00-0), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
87199-17-5
SMILES
O=Cc1ccc(B(O)O)cc1
InChIKey
VXWBQOJISHAKKM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H

Weigh it out

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

Names and synonyms

8 names
  • Boronic acid, B-(4-formylphenyl)-
  • Boronic acid, (4-formylphenyl)-
  • Benzeneboronic acid, p-formyl-
  • B-(4-Formylphenyl)boronic acid
  • p-Formylphenylboronic acid
  • p-Formylbenzeneboronic acid
  • 4-Formylbenzeneboronic acid
  • 4-Formylphenylborate

Work with 4-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

1,4-Benzenediboronic acid4612-26-457 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-Vinylphenylboronic acid2156-04-956 % similar 4-Hydroxybenzaldehyde123-08-050 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar 4-(Carboxyvin-2-yl)phenylboronic acid159896-15-848 % similar 3-Fluoro-4-formylphenylboronic acid248270-25-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Formylphenylboronic acid40138-16-7 3-Formylphenylboronic acid87199-16-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia