2-Chloro-5-(trifluoromethyl)phenylboronic 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 irritation97.8% of notifiers
Aggregated from 45 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
182344-18-9SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)OInChIKey
YVMXEHZEYONARR-UHFFFAOYSA-NInChI
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Chloro-5-(trifluoromethyl)phenylboronic acid
Similar compounds
2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-762 % similar
2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-259 % similar
3,4-Dichlorobenzotrifluoride328-84-758 % similar
2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-357 % similar
2-Chloro-5-(trifluoromethyl)phenol40889-91-656 % similar
2-Chloro-5-fluorobenzeneboronic acid444666-39-156 % similar
2-Methyl-4-(trifluoromethyl)phenylboronic acid957034-45-656 % similar
2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.