4-Carboxyphenylboronic acid

C₇H₇BO₄CAS 14047-29-1165.94 g/mol

Open in Covalent MOL file

Boronic acid Carboxylic acid

Properties

Molecular formula: C₇H₇BO₄
Molar mass: 165.94 g/mol
Exact mass: 166.0437 Da
Melting point: 219–220 °C
logP: -0.94Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed23.5% of notifiers
H312 Harmful in contact with skin11.8% of notifiers
H315 Causes skin irritation88.2% of notifiers
H319 Causes serious eye irritation88.2% of notifiers
H332 Harmful if inhaled11.8% of notifiers
H335 May cause respiratory irritation82.4% of notifiers

Aggregated from 17 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

14047-29-1

SMILES

O=C(O)c1ccc(B(O)O)cc1

InChIKey

SIAVMDKGVRXFAX-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)

Weigh it out

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

Names and synonyms

13 names · show all

Benzoic acid, 4-borono-
Benzoic acid, p-borono-
4-Boronobenzoic acid
4-Carboxybenzeneboronic acid
p-Boronobenzoic acid
p-Carboxyphenylboronic acid
p-Carboxybenzeneboronic acid
NSC 221170
4-Hydroxycarbonylphenyl boronic acid
4-(Dihydroxyboryl)benzoic acid
4-Carboxylphenylboronic acid
4-(Dihydroxyboronyl)benzoic acid
4-(Dihydroxyboranyl)benzoic acid

Work with 4-Carboxyphenylboronic 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

Terephthalic acid100-21-065 % similar 3,5-Dicarboxybenzeneboronic acid881302-73-464 % similar 4-Carbamoylphenylboronic acid123088-59-559 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-658 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-458 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-258 % similar 4-Acetylphenylboronic acid149104-90-557 % similar (4-Chlorocarbonylphenyl)boronic anhydride332154-57-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Carboxyphenylboronic acid149105-19-1 3-Carboxyphenylboronic acid25487-66-5 (2H-1,3-Benzodioxol-5-yl)boronic acid94839-07-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook