3-Trifluoromethylphenylboronic acid
Properties
- Molecular formula
- C7H6BF3O2
- Molar mass
- 189.93 g/mol
- Exact mass
- 190.0413 Da
- logP
- 0.39Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation97.4% of notifiers
- H319 Causes serious eye irritation97.4% of notifiers
- H335 May cause respiratory irritation94.9% of notifiers
Aggregated from 39 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
1423-26-3SMILES
OB(O)c1cccc(C(F)(F)F)c1InChIKey
WOAORAPRPVIATR-UHFFFAOYSA-NInChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Boronic acid, B-[3-(trifluoromethyl)phenyl]-
- m-Tolueneboronic acid, α,α,α-trifluoro-
- Boronic acid, [3-(trifluoromethyl)phenyl]-
- B-[3-(Trifluoromethyl)phenyl]boronic acid
- 3-(Trifluoromethyl)benzeneboronic acid
- [1-(Trifluoromethyl)phenyl-3-yl]boronic acid
- (3-(Trifluormomethyl)phenyl)boronic acid
- 3-(Trifluoromethyl)phenylboronic acid
Work with 3-Trifluoromethylphenylboronic acid
Similar compounds
3,5-Bis-trifluoromethylphenylboronic acid73852-19-464 % similar
(3-tert-Butylphenyl)boronic acid560132-24-361 % similar
3,5-Bis(trifluoromethyl)benzene402-31-358 % similar
1,3-Benzenediboronic acid4612-28-658 % similar
3-Fluorophenylboronic acid768-35-453 % similar
4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-353 % similar
3-(Trifluoromethyl)phenol98-17-952 % similar
4-Chloro-3-(trifluoromethyl)benzeneboronic acid176976-42-451 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.