Tavaborole

C₇H₆BFO₂CAS 174671-46-6151.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BFO₂
Molar mass: 151.93 g/mol
Exact mass: 152.0445 Da
Melting point: 118–120 °C
Water solubility: slightly soluble
logP: 0.04Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled87.9% of notifiers
H302 Harmful if swallowed97% of notifiers
H312 Harmful in contact with skin97% of notifiers
H315 Causes skin irritation97% of notifiers
H318 Causes serious eye damage93.9% of notifiers
H332 Harmful if inhaled97% of notifiers

Aggregated from 33 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+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number

174671-46-6

SMILES

OB1OCc2cc(F)ccc21

InChIKey

LFQDNHWZDQTITF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2,1-Benzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-
5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
AN 2690
5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
AN 2729
Kerydin

Work with Tavaborole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Hydroxy-2,1-benzoxaborolane5735-41-155 % similar Crisaborole906673-24-348 % similar 2,4-Difluorophenylboronic acid144025-03-642 % similar (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-341 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-240 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-140 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-839 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook