(3,4,5-Trichlorophenyl)boronic acid

C6H4BCl3O2CAS 862248-93-9225.26 g/mol

Open in Covalent MOL file
BClClClHOHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
862248-93-9
SMILES
B(C1=CC(=C(C(=C1)Cl)Cl)Cl)(O)O
InChIKey
KTEXVCMJBYWOSG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BCl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H

Weigh it out

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

Names and synonyms

1 names
  • 3,4,5-Trichlorophenylboronic acid

Work with (3,4,5-Trichlorophenyl)boronic 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

3,4-Dichlorobenzeneboronic acid151169-75-464 % similar 3-Chloro-4-hydroxyphenylboronic acid182344-13-457 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-955 % similar 3-Chloro-4-methylphenylboronic acid175883-63-355 % similar 3,5-Dichlorophenylboronic acid67492-50-652 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-050 % similar (2,3-Dichlorophenyl)boronic acid151169-74-350 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-050 % 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 2,4,6-Trichlorobenzeneboronic acid73852-18-3

Elsewhere

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