3-(Trimethylsilyl)phenylboronic acid

C₉H₁₅BO₂SiCAS 177171-16-3194.11 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₉H₁₅BO₂Si
Molar mass: 194.11 g/mol
Exact mass: 194.0934 Da
Melting point: 138–140 °C
logP: -0.09Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

177171-16-3

SMILES

C[Si](C)(C)c1cccc(B(O)O)c1

InChIKey

REMKRZLFPLDTKR-UHFFFAOYSA-N

InChI

InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-[3-(trimethylsilyl)phenyl]-
Boronic acid, [3-(trimethylsilyl)phenyl]-
B-[3-(Trimethylsilyl)phenyl]boronic acid
m-(Trimethylsilyl)phenylboronic acid

Work with 3-(Trimethylsilyl)phenylboronic 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

1,3-Benzenediboronic acid4612-28-658 % similar 3-Methylphenylboronic acid17933-03-852 % similar 3-Chlorophenylboronic acid63503-60-648 % similar 3-Fluorophenylboronic acid768-35-448 % similar (3-Hydroxyphenyl)boronic acid87199-18-648 % similar (3-Methoxyphenyl)boronic acid10365-98-747 % similar 3-(Methylthio)benzeneboronic acid128312-11-847 % similar 3-(Dimethylamino)benzeneboronic acid178752-79-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trimethylsilyl)phenylboronic Acid (contains varying amounts of Anhydride)17865-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook