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
logP: 3.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

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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

Similar compounds

2,5-Dichlorohydroquinone824-69-188 % similar 4,6-Dichlororesorcinol137-19-982 % similar 4-Bromo-2,5-dichlorophenol1940-42-764 % similar 1,2,4,5-Tetrachlorobenzene95-94-356 % similar 2,3,4,5-Tetrachlorophenol4901-51-352 % similar 5-Bromo-2-chlorophenol183802-98-452 % similar 2,4-Dichlorophenol120-83-250 % similar 2,5-Dichlorophenol583-78-850 % 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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