4-Chloro-3-(trifluoromethyl)benzeneboronic acid
Properties
- Molecular formula
- C7H5BClF3O2
- Molar mass
- 224.37 g/mol
- Exact mass
- 224.0023 Da
- logP
- 1.04Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation90% of notifiers
Aggregated from 10 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
176976-42-4SMILES
B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)OInChIKey
XHKNQBNGLMOTDB-UHFFFAOYSA-NInChI
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Chloro-3-(trifluoromethyl)phenylboronic acid
Work with 4-Chloro-3-(trifluoromethyl)benzeneboronic acid
Similar compounds
B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-662 % similar
3,4-Dichlorobenzeneboronic acid151169-75-458 % similar
4-Chloro-3-fluorophenylboronic Acid137504-86-056 % similar
4-Chloro-3-(trifluoromethyl)phenol6294-93-556 % similar
3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-855 % similar
1,4-Dichloro-2-(trifluoromethyl)benzene320-50-355 % similar
2,4-Bis(trifluoromethyl)chlorobenzene327-76-455 % similar
1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.