chempirical

Solvent red 72

C20H10Br2O5CAS 596-03-2490.10 g/mol

Open in Covalent MOL file
OOOHBrOHOBr
Aryl halideEsterEtherLactonePhenol

Properties

Molecular formula
C20H10Br2O5
Molar mass
490.10 g/mol
Exact mass
487.8895 Da
Melting point
285 °C
logP
5.19Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
596-03-2
SMILES
O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br
InChIKey
ZDTNHRWWURISAA-UHFFFAOYSA-N
InChI
InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H

Weigh it out

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

Names and synonyms

13 names · show all
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 4′,5′-dibromo-3′,6′-dihydroxy-
  • Fluorescein, 4′,5′-dibromo-
  • 4′,5′-Dibromo-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • C.I. Solvent red 72
  • D And C orange no. 5
  • 4′,5′-Dibromofluorescein
  • C.I. 45370:1
  • Eosinic acid
  • Japan orange 201
  • Japan orange no. 201
  • D&C Orange no. 5
  • D & C Orange 5
  • Orange no. 201

Work with Solvent red 72

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 2115086-94-967 % similar Naphtholphthalein596-01-064 % similar Eosin Y17372-87-157 % similar Dichlorofluorescein76-54-056 % similar Fluorescein2321-07-554 % similar P-Xylenolphthalein50984-88-853 % similar O-Cresolphthalein596-27-052 % similar Tetrabromophenolphthalein76-62-051 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook