2,3,4,5-Tetrachlorophenol

C₆H₂Cl₄OCAS 4901-51-3231.88 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₂Cl₄O
Molar mass: 231.88 g/mol
Exact mass: 229.8860 Da
Density: 1.6 g/mL (at 60 °C)
Melting point: 116.5 °C
pKa: 6.35
Water solubility: < 1 g/L (21.1 °C)
logP: 4.01Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H318 Causes serious eye damage97.7% of notifiers
H335 May cause respiratory irritation97.7% 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+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

4901-51-3

SMILES

Oc1cc(Cl)c(Cl)c(Cl)c1Cl

InChIKey

RULKYXXCCZZKDZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H

Weigh it out

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

Names and synonyms

1 names

Phenol, 2,3,4,5-tetrachloro-

Work with 2,3,4,5-Tetrachlorophenol

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

Pentachlorobenzene608-93-560 % similar 2,3,5-Trichlorophenol933-78-860 % similar 2,3,4-Trichlorophenol15950-66-058 % similar 2,5-Dichlorohydroquinone824-69-157 % similar 2,4,5-Trichlorophenol95-95-452 % similar 2,3-Dichlorophenol576-24-952 % similar 3,4,5-Trichlorophenol609-19-850 % similar 4,6-Dichlororesorcinol137-19-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,6-Tetrachlorophenol58-90-2 2,3,5,6-Tetrachlorophenol935-95-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook