Sodium pentachlorophenolate

C6Cl5NaOCAS 131-52-2288.30 g/mol

Open in Covalent MOL file
O−ClClClClClNa+
Aryl halidePhenol

Properties

Molecular formula
C6Cl5NaO
Molar mass
288.30 g/mol
Exact mass
285.8289 Da
Melting point
145–146 °C
logP
4.28Crippen 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
131-52-2
SMILES
[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[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

26 names · show all
  • Phenol, 2,3,4,5,6-pentachloro-, sodium salt (1:1)
  • Phenol, pentachloro-, sodium salt
  • Phenol, pentachloro-, sodium deriv.
  • PCP-Sodium
  • Pentachlorophenate sodium
  • Pentachlorophenoxy sodium
  • Sodium PCP
  • Sodium pentachlorophenate
  • Sodium pentachlorophenol
  • Sodium pentachlorophenoxide
  • Pentachlorophenol sodium salt
  • Dowicide G
  • PCP sodium salt
  • Mystox D
  • Sapco 25
  • Santobrite
  • PKhFN
  • GR 48-32S
  • GR 48-11PS
  • NAPCP
  • Witophen N
  • Preventol PN
  • Pentanot 25
  • CL 208
  • PCP-Na
  • Biocel WD

Work with Sodium pentachlorophenolate

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.

Pentachlorophenol87-86-5Free acid

Similar compounds

Hexachlorobenzene118-74-140 % similar Sodium 2,4,6-trichlorophenate3784-03-040 % similar Sodium rhodizonate523-21-736 % similar Octachloronaphthalene2234-13-133 % similar Sodium 2,4,5-trichlorophenolate136-32-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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