2,3,5-Trichlorophenol

C₆H₃Cl₃OCAS 933-78-8197.44 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃Cl₃O
Molar mass: 197.44 g/mol
Exact mass: 195.9249 Da
Melting point: 62 °C
Boiling point: 248 °C
Water solubility: < 1 g/L (16.1 °C)
logP: 3.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation90.7% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

933-78-8

SMILES

Oc1cc(Cl)cc(Cl)c1Cl

InChIKey

WWGQHTJIFOQAOC-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

Weigh it out

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

Names and synonyms

1 names

Phenol, 2,3,5-trichloro-

Work with 2,3,5-Trichlorophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,5-Tetrachlorobenzene634-90-264 % similar 2,3,4,5-Tetrachlorophenol4901-51-360 % similar 2,3-Dichlorophenol576-24-954 % similar 2,4-Dichlorophenol120-83-252 % similar 2,5-Dichlorophenol583-78-852 % similar 2,4-Dichloro-6-hydroxybenzaldehyde78443-72-852 % similar 2,3,5-Trichlorophenylboronic acid212779-19-650 % similar 2,3,5-Trichlorobenzoic acid50-73-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trichlorophenol15950-66-0 3,4,5-Trichlorophenol609-19-8 2,4,6-Trichlorophenol88-06-2 2,3,6-Trichlorophenol933-75-5 2,4,5-Trichlorophenol95-95-4

Elsewhere

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