Sodium 2,4,5-trichlorophenolate

C6H2Cl3NaOCAS 136-32-3219.42 g/mol

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O−ClClClNa+
Aryl halidePhenol

Properties

Molecular formula
C6H2Cl3NaO
Molar mass
219.42 g/mol
Exact mass
217.9069 Da
logP
2.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
136-32-3
SMILES
[O-]c1cc(Cl)c(Cl)cc1Cl.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

8 names
  • Phenol, 2,4,5-trichloro-, sodium salt (1:1)
  • Phenol, 2,4,5-trichloro-, sodium salt
  • Sodium, (2,4,5-trichlorophenoxy)-
  • Phenol, 2,4,5-trichloro-, sodium deriv.
  • Dowicide B
  • Sodium 2,4,5-trichlorophenate
  • 2,4,5-Trichlorophenol sodium salt
  • Sodium 2,4,5-trichlorophenoxide

Work with Sodium 2,4,5-trichlorophenolate

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

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.

2,4,5-Trichlorophenol95-95-4Free acid

Similar compounds

1,2,4,5-Tetrachlorobenzene95-94-347 % similar Sodium 3,5,6-trichloro-2-pyridinol37439-34-243 % similar 2,4,5-Trichloroaniline636-30-640 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-538 % similar 2,4,5-Trichlorobenzenethiol3773-14-635 % similar 2,4,5-Trichlorotoluene6639-30-135 % similar Pentachlorobenzene608-93-533 % similar Potassium 2,4,5-trichlorobenzenesulfonate62625-17-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 2,4,6-trichlorophenate3784-03-0

Elsewhere

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