2,3-Dimethylphenylboronic acid

C₈H₁₁BO₂CAS 183158-34-1149.98 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₈H₁₁BO₂
Molar mass: 149.98 g/mol
Exact mass: 150.0852 Da
logP: -0.02Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 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

183158-34-1

SMILES

Cc1cccc(B(O)O)c1C

InChIKey

ZYYANAWVBDFAHY-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO2/c1-6-4-3-5-8(7(6)2)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

4 names

Boronic acid, B-(2,3-dimethylphenyl)-
Boronic acid, (2,3-dimethylphenyl)-
B-(2,3-Dimethylphenyl)boronic acid
[2,3-Methylphenyl]boronic acid

Work with 2,3-Dimethylphenylboronic 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-Methylphenylboronic acid16419-60-665 % similar 3-Fluoro-2-methylphenylboronic Acid163517-61-160 % similar 1,2,3-Trimethylbenzene526-73-854 % similar Dimethylphenol1300-71-648 % similar 2,3-Dimethylphenol526-75-048 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-447 % similar 5-Chloro-2-methylphenylboronic acid148839-33-245 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethylphenylboronic acid100379-00-8 3,5-Dimethylphenylboronic acid172975-69-8 Phenylethane boronic acid34420-17-2 3,4-Dimethylphenylboronic acid55499-43-9 B-(2,4-Dimethylphenyl)boronic acid55499-44-0 (4-Ethylphenyl)boronic acid63139-21-9 (2,5-Dimethylphenyl)boronic acid85199-06-0 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-1

Elsewhere

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