chempirical

Tetrabromophenolphthalein

C20H10Br4O4CAS 76-62-0633.91 g/mol

Open in Covalent MOL file
OOBrOHBrBrHOBr
Aryl halideEsterLactonePhenol

Properties

Molecular formula
C20H10Br4O4
Molar mass
633.91 g/mol
Exact mass
629.7313 Da
Melting point
296 °C
logP
6.61Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
76-62-0
SMILES
O=C1OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
InChIKey
OBRGVMYQZVQHGO-UHFFFAOYSA-N
InChI
InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-
  • Phenolphthalein, 3′,3′′,5′,5′′-tetrabromo-
  • 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-1(3H)-isobenzofuranone
  • 3′,3′′,5′,5′′-Tetrabromophenolphthalein
  • NSC 21261
  • A 84568
  • 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one

Work with Tetrabromophenolphthalein

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

Similar compounds

Red 2115086-94-968 % similar Phenolphthalein77-09-860 % similar O-Cresolphthalein596-27-055 % similar Bromophenol blue115-39-952 % similar Naphtholphthalein596-01-051 % similar Fluorescein2321-07-551 % similar Solvent red 72596-03-251 % similar O-Cresolphthalein complexone2411-89-450 % similar

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

Elsewhere

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