Sodium p-chlorophenoxyacetate

C8H6ClNaO3CAS 13730-98-8208.57 g/mol

Open in Covalent MOL file
O−OOClNa+
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H6ClNaO3
Molar mass
208.57 g/mol
Exact mass
207.9903 Da
Melting point
164 °C
logP
1.42Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
13730-98-8
SMILES
[O-]C(=O)COc1ccc(Cl)cc1.[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

7 names
  • Acetic acid, 2-(4-chlorophenoxy)-, sodium salt (1:1)
  • Acetic acid, (p-chlorophenoxy)-, sodium salt
  • Acetic acid, (4-chlorophenoxy)-, sodium salt
  • Parafen
  • p-Chlorophenoxyacetic acid sodium salt
  • Sodium 4-chlorophenoxyacetate
  • 4-CPA sodium salt

Work with Sodium p-chlorophenoxyacetate

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.

4-Chlorophenoxyacetic acid122-88-3Free acid

Similar compounds

Sodium phenoxyacetate3598-16-168 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-963 % similar Isrib548470-11-748 % similar 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-828934-41-446 % similar Bis(p-chlorophenoxy)methane555-89-545 % similar Sodium orthocarbamylphenoxyacetate3785-32-844 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-544 % similar Alpha,4-Dichloroanisole21151-56-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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