(3,4-Difluorophenyl)boronic acid
Properties
- Molecular formula
- C6H5BF2O2
- Molar mass
- 157.91 g/mol
- Exact mass
- 158.0351 Da
- logP
- -0.36Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed20% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H315 Causes skin irritation90% of notifiers
- H319 Causes serious eye irritation90% of notifiers
- H332 Harmful if inhaled20% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 10 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
168267-41-2SMILES
OB(O)c1ccc(F)c(F)c1InChIKey
RMGYQBHKEWWTOY-UHFFFAOYSA-NInChI
InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Boronic acid, B-(3,4-difluorophenyl)-
- Boronic acid, (3,4-difluorophenyl)-
- B-(3,4-Difluorophenyl)boronic acid
- 3,4-Difluorobenzeneboronic acid
Work with (3,4-Difluorophenyl)boronic acid
Similar compounds
3-Fluoro-4-hydroxybenzeneboronic acid182344-14-567 % similar
4-Chloro-3-fluorophenylboronic Acid137504-86-064 % similar
4-Fluoro-3-methylphenylboronic acid139911-27-664 % similar
3-Chloro-4-fluorophenylboronic acid144432-85-964 % similar
3-Fluoro-4-methylphenylboronic acid168267-99-064 % similar
4-Bromo-3-fluorobenzeneboronic acid374790-97-364 % similar
3-Fluoro-4-methoxybenzeneboronic acid149507-26-663 % similar
4-Fluoro-3-methoxyphenylboronic acid854778-31-763 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.