Food Red No. 3 aluminum lake

C60H18Al2I12O15CAS 12227-78-02555.61 g/mol

Open in Covalent MOL file
O−IOIO−IOOIO−IOIO−IOOIO−IOIO−IOOIAl3+Al3+
Aryl halideEsterEtherLactonePhenol

Properties

Molecular formula
C60H18Al2I12O15
Molar mass
2555.61 g/mol
Exact mass
2554.8813 Da
logP
5.70Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 82 ECHA notifiers. Aggregated from 82 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
12227-78-0
SMILES
[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[Al+3].[Al+3]
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.

Weigh it out

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Names and synonyms

16 names · show all
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, aluminum salt (3:2)
  • C.I. Pigment red 172
  • Certolake erythrosine
  • C.I. Food red 14:1
  • C.I. Acid red 51:1
  • C.I. 45430:1
  • Food red 14:1
  • 11150 Dispersed pink
  • Japan Food Red No. 3 aluminum lake
  • Pigment red 172
  • Acid red 51:1
  • Ariabel rose 300504
  • Japan red 3 aluminum lake
  • Erythrosine aluminum lake
  • FD&C red no. 3 aluminum lake
  • Japan red 3AL

Work with Food Red No. 3 aluminum lake

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.

Erythrosine16423-68-0Salt

Similar compounds

Acid red 9533239-19-960 % similar Eosin Y17372-87-155 % similar Rose Bengal sodium salt632-69-954 % similar Red 2115086-94-947 % similar Sodium fluorescein518-47-847 % similar Solvent red 72596-03-244 % similar Fluorescein2321-07-544 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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