2,4,6-Trichlorobenzeneboronic acid

C₆H₄BCl₃O₂CAS 73852-18-3225.26 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BCl₃O₂
Molar mass: 225.26 g/mol
Exact mass: 223.9370 Da
logP: 1.33Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

73852-18-3

SMILES

B(C1=C(C=C(C=C1Cl)Cl)Cl)(O)O

InChIKey

JWWBOINZBOIAHR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BCl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H

Weigh it out

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

Names and synonyms

1 names

2,4,6-Trichlorophenylboronic acid

Work with 2,4,6-Trichlorobenzeneboronic acid

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

2,6-Dichlorobenzeneboronic acid73852-17-265 % similar 2,4-Dichlorophenylboronic acid68716-47-254 % similar 3,5-Dichlorophenylboronic acid67492-50-652 % similar 2,5-Dichlorobenzeneboronic acid135145-90-348 % similar 2,4,6-Trichlorophenol88-06-248 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-347 % similar 1,2,3,5-Tetrachlorobenzene634-90-246 % similar 2,4-Dichloro-6-methylphenol1570-65-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5-Trichlorophenylboronic acid212779-19-6 B-(2,3,4-Trichlorophenyl)boronic acid352530-21-3 (3,4,5-Trichlorophenyl)boronic acid862248-93-9

Elsewhere

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