4-Carboxy-3-chlorophenylboronic acid
Properties
- Molecular formula
- C7H6BClO4
- Molar mass
- 200.38 g/mol
- Exact mass
- 200.0048 Da
- logP
- -0.28Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed22.2% of notifiers
- H315 Causes skin irritation88.9% of notifiers
- H318 Causes serious eye damage11.1% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
136496-72-5SMILES
B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)OInChIKey
QFAFGWXQNDYXPZ-UHFFFAOYSA-NInChI
InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Chloro-4-(dihydroxyboranyl)benzoic acid
Work with 4-Carboxy-3-chlorophenylboronic acid
Similar compounds
4-Carboxy-3-fluorophenylboronic acid120153-08-462 % similar
2,4-Dichlorobenzoic acid50-84-060 % similar
3-Chloro-4-(methoxycarbonyl)benzeneboronic acid603122-82-360 % similar
2-Chloro-4-hydroxybenzoic acid56363-84-958 % similar
3-Carboxy-4-fluorophenylboronic acid872460-12-358 % similar
2-Chloro-4-fluorobenzoic acid2252-51-957 % similar
4-Amino-2-chlorobenzoic acid2457-76-357 % similar
4-Bromo-2-chlorobenzoic acid59748-90-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.