4-Ethoxycarbonylphenylboronic acid

C₉H₁₁BO₄CAS 4334-88-7193.99 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₉H₁₁BO₄
Molar mass: 193.99 g/mol
Exact mass: 194.0750 Da
logP: -0.46Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H336 May cause drowsiness or dizziness14.3% of notifiers

Aggregated from 14 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

4334-88-7

SMILES

CCOC(=O)c1ccc(B(O)O)cc1

InChIKey

ZLNFACCFYUFTLD-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3

Weigh it out

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

Names and synonyms

11 names

4-(Ethoxycarbonyl)phenylboronic acid
Benzoic acid, 4-borono-, 1-ethyl ester
Benzoic acid, p-borono-, 1-ethyl ester
Benzoic acid, p-borono-, ethyl ester
4-Carboethoxybenzeneboronic acid
Ethyl 4-boronobenzoate
[4-[(Ethyloxy)carbonyl]phenyl]boronic acid
[p-(Ethoxycarbonyl)phenyl]boronic acid
4-(Ethoxylcarbonyl)phenylboronic acid
(4-(Ethoxycabonyl)phenyl)boronic acid
Ethyl 4-dihydroxyborylbenzoate

Work with 4-Ethoxycarbonylphenylboronic 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

[4-(Propoxycarbonyl)phenyl]boronic acid91062-38-372 % similar Diethyl terephthalate636-09-970 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-664 % similar Ethylparaben120-47-863 % similar 4-Methoxycarbonylphenylboronic acid99768-12-463 % similar (4-Benzyloxycarbonylphenyl)boronic acid184000-11-162 % similar Ethyl 4-methylbenzoate94-08-660 % similar 1-Ethyl 5-borono-2-fluorobenzoate874219-36-060 % similar

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

Same formula

4-(2-Carboxyethyl)benzeneboronic acid166316-48-9 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid279261-89-1 2-(Ethoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)380430-53-5 (3-Ethoxycarbonylphenyl)boronic acid4334-87-6

Elsewhere

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