4-Methoxy-2-(trifluoromethyl)phenylboronic acid
Properties
- Molecular formula
- C8H8BF3O3
- Molar mass
- 219.95 g/mol
- Exact mass
- 220.0519 Da
- logP
- 0.39Crippen estimate
- Polar surface area
- 49.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
313546-16-6SMILES
B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)OInChIKey
ZBCRZEJNAADYKG-UHFFFAOYSA-NInChI
InChI=1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Methoxy-2-(trifluoromethyl)phenylboronic acid
Similar compounds
(2-Fluoro-4-methoxyphenyl)boronic acid162101-31-759 % similar
2,4-Dimethoxybenzeneboronic acid133730-34-458 % similar
2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-258 % similar
4-Fluoro-3-(trifluoromethyl)anisole127271-65-257 % similar
4-Fluoro-2-(trifluoromethyl)benzeneboronic acid182344-16-757 % similar
(4-Methoxy-2-methylphenyl)boronic acid208399-66-057 % similar
4-Methoxy-2-(trifluoromethyl)aniline53903-49-457 % similar
2-Chloro-4-methoxyphenylboronic acid219735-99-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.