2,4,5-Trichlorophenol

C₆H₃Cl₃OCAS 95-95-4197.44 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
Density: 1.678 g/mL (at 25 °C)
Melting point: 69 °C
Boiling point: 247 °C
pKa: 7.43
Flash point: 133 °C (closed cup)
Water solubility: 1.2 g/L (25 °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 swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-017-00-X), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

95-95-4

SMILES

Oc1cc(Cl)c(Cl)cc1Cl

InChIKey

LHJGJYXLEPZJPM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Phenol, 2,4,5-trichloro-
Dowicide 2
Preventol I
TCP
2.4,5-Trichlorophenic acid
NSC 2266

Work with 2,4,5-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium 2,4,5-trichlorophenolate136-32-3Salt

Similar compounds

2,5-Dichlorohydroquinone824-69-188 % similar 4,6-Dichlororesorcinol137-19-982 % similar 4-Bromo-2,5-dichlorophenol1940-42-764 % similar 5-Amino-2,4-dichlorophenol39489-79-761 % similar 4-Amino-2,5-dichlorophenol50392-39-761 % similar 1,2,4,5-Tetrachlorobenzene95-94-356 % similar 2,3,4,5-Tetrachlorophenol4901-51-352 % similar 5-Bromo-2-chlorophenol183802-98-452 % 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 2,3,5-Trichlorophenol933-78-8

Elsewhere

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