2,6-Dimethoxyphenylboronic acid

C₈H₁₁BO₄CAS 23112-96-1181.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₄
Molar mass: 181.98 g/mol
Exact mass: 182.0750 Da
logP: -0.62Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

23112-96-1

SMILES

B(C1=C(C=CC=C1OC)OC)(O)O

InChIKey

BKWVXPCYDRURMK-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3

Weigh it out

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

Names and synonyms

1 names

(2,6-Dimethoxyphenyl)boronic acid

Work with 2,6-Dimethoxyphenylboronic 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-Chloro-6-methoxyphenylboronic acid385370-80-975 % similar 2-Fluoro-6-methoxyphenylboronic acid78495-63-372 % similar 2,4,6-Trimethoxyphenylboronic acid135159-25-061 % similar 2-Methoxyphenylboronic acid5720-06-961 % similar (2-Methoxy-1-naphthyl)boronic acid104116-17-859 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-456 % similar Syringol91-10-152 % similar 1,2,3-Trimethoxybenzene634-36-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxyphenylboronic acid107099-99-0 3,4-Dimethoxyphenylboronic acid122775-35-3 2,4-Dimethoxybenzeneboronic acid133730-34-4 3,5-Dimethoxyphenylboronic acid192182-54-0 2,3-Dimethoxyphenylboronic acid40972-86-9 3-(Hydroxymethyl)-4-methoxyphenylboronic Acid908142-03-0

Elsewhere

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