2-Hydroxymethylphenylboronic acid

C₇H₉BO₃CAS 87199-14-2151.96 g/mol

Open in Covalent MOL file

Alcohol Boronic acid

Properties

Molecular formula: C₇H₉BO₃
Molar mass: 151.96 g/mol
Exact mass: 152.0645 Da
logP: -1.14Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 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

87199-14-2

SMILES

B(C1=CC=CC=C1CO)(O)O

InChIKey

AFHOBSCDNXGFMO-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9-11H,5H2

Weigh it out

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

Names and synonyms

1 names

2-(Hydroxymethyl)phenylboronic Acid

Work with 2-Hydroxymethylphenylboronic 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-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-161 % similar [2-(Bromomethyl)phenyl]boronic acid91983-14-161 % similar 1,2-Benzenedimethanol612-14-657 % similar 2-Methoxymethylphenylboronic acid126617-98-955 % similar 2-(N,N-Dimethylaminomethyl)phenylboronic acid85107-53-555 % similar 2-Bromobenzyl alcohol18982-54-246 % similar (2-Bromophenyl)boronic acid244205-40-146 % similar (2-Hydroxyphenyl)boronic acid89466-08-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Methoxyphenyl)boronic acid10365-98-7 B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-8 2-Methoxyphenylboronic acid5720-06-9 (4-Methoxyphenyl)boronic acid5720-07-0 4-(Hydroxymethyl)benzeneboronic acid59016-93-2 (3-Hydroxymethyl)phenylboronic acid87199-15-3

Elsewhere

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