Tetrabromophenolphthalein ethyl ester potassium salt

C22H13Br4KO4CAS 62637-91-6700.06 g/mol

OOBrOBrBrO−BrK+
AlkeneAryl halideEsterKetonePhenolVinyl halide

Properties

Molecular formula
C22H13Br4KO4
Molar mass
700.06 g/mol
Exact mass
695.7184 Da
logP
6.66Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

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

Identifiers

CAS number
62637-91-6
SMILES
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c([O-])c(Br)c1.[K+]
InChIKey
RHOVEHKFIRCEQZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H14Br4O4.K/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12;/h3-10,27H,2H2,1H3;

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Names and synonyms

3 names
  • Benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester, potassium salt (1:1)
  • Benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester, potassium salt
  • Phenolphthalein, 3′,3′′,5′,5′′-tetrabromo-, ethyl ester, potassium deriv.

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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