4-Vinylphenylboronic acid

C₈H₉BO₂CAS 2156-04-9147.97 g/mol

Open in Covalent MOL file

Alkene Boronic acid

Properties

Molecular formula: C₈H₉BO₂
Molar mass: 147.97 g/mol
Exact mass: 148.0696 Da
logP: 0.01Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed87.8% of notifiers
H312 Harmful in contact with skin87.8% of notifiers
H315 Causes skin irritation12.2% of notifiers
H319 Causes serious eye irritation12.2% of notifiers
H332 Harmful if inhaled87.8% of notifiers
H335 May cause respiratory irritation10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2156-04-9

SMILES

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

InChIKey

QWMJEUJXWVZSAG-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2

Weigh it out

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

Work with 4-Vinylphenylboronic 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 4-Formylphenylboronic acid87199-17-556 % similar 4-Vinylphenol2628-17-350 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar 4,4′-Diethenyl-1,1′-biphenyl4433-13-050 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-346 % similar 4-Hydroxyphenylboronic acid71597-85-846 % similar (4-Vinylphenyl)methanol1074-61-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

B-(2-Ethenylphenyl)boronic acid15016-42-9 (3-Vinylphenyl)boronic acid15016-43-0 Styrylboronic acid6783-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook