chempirical

Alizarine yellow R

C13H8N3NaO5CAS 1718-34-9309.21 g/mol

Open in Covalent MOL file
O−ONNN+O−OHONa+
AzoCarboxylic acidNitroPhenol

Properties

Molecular formula
C13H8N3NaO5
Molar mass
309.21 g/mol
Exact mass
309.0362 Da
logP
3.03Crippen estimate
Polar surface area
125.4 Ų
H-bond donors / acceptors
2 / 6
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
1718-34-9
SMILES
[O-]C(=O)c1cc(N=Nc2ccc([N+]([O-])=O)cc2)ccc1O.[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.

Weigh it out

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Names and synonyms

8 names
  • Benzoic acid, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:1)
  • C.I. Mordant Orange 1, monosodium salt
  • Benzoic acid, 2-hydroxy-5-[(4-nitrophenyl)azo]-, monosodium salt
  • Salicylic acid, 5-(p-nitrophenylazo)-, sodium salt
  • Mordant yellow 3R
  • 5-(p-Nitrophenylazo)salicylic acid sodium salt
  • Sodium p-nitrobenzeneazosalicylate
  • Alizarin Yellow R sodium salt

Work with Alizarine yellow R

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.

Mordant orange 12243-76-7Free acid

Similar compounds

Olsalazine sodium6054-98-474 % similar C.I. Mordant yellow 106054-99-563 % similar 4-[(4-Nitrophenyl)azo]-1,2-benzenediol843-33-462 % similar Sodium gentisate4955-90-251 % similar Balsalazide disodium hydrate150399-21-651 % similar Diphenyl brown GR3811-71-050 % similar Azo violet74-39-550 % similar 4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol5290-62-049 % similar

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

Same formula

Monochrome Yellow 1 sodium salt584-42-9

Elsewhere

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