3-Carboxyphenylboronic acid
Properties
- Molecular formula
- C7H7BO4
- Molar mass
- 165.94 g/mol
- Exact mass
- 166.0437 Da
- Melting point
- 245–247 °C (decomposes)
- logP
- -0.94Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation91.7% of notifiers
- H319 Causes serious eye irritation91.7% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 12 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
25487-66-5SMILES
O=C(O)c1cccc(B(O)O)c1InChIKey
DBVFWZMQJQMJCB-UHFFFAOYSA-NInChI
InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)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
8 names
- Benzoic acid, 3-borono-
- Benzoic acid, m-borono-
- 3-Boronobenzoic acid
- m-Carboxyphenylboronic acid
- 3-Carboxybenzeneboronic acid
- 3-(Dihydroxyboryl)benzoic acid
- 3-(Dihydroxyborane)benzoic acid
- 3-(Dihydroxyboranyl)benzoic acid
Work with 3-Carboxyphenylboronic acid
Similar compounds
3,5-Dicarboxybenzeneboronic acid881302-73-467 % similar
Isophthalic acid121-91-564 % similar
3-Acetylphenylboronic acid204841-19-062 % similar
(3-Carbamoylphenyl)boronic acid351422-73-659 % similar
3-(Methylcarbamoyl)benzeneboronic acid832695-88-258 % similar
3-(Dimethylcarbamoyl)phenylboronic acid373384-14-657 % similar
3-(Methoxycarbonyl)benzeneboronic acid99769-19-457 % similar
3-Carboxyphenylboronic acid pinacol ester269409-73-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.