Basic information
- CAS
72139-21-0- Standard SMILES
O=C(C=CC(=O)Nc1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1)Nc1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]- InChIKey
WQJRLJRUKDTIAY-UHFFFAOYSA-L- Molecular formula
- C30H20N6Na2O8
- Average molar mass
- 638.5 g/mol
- Monoisotopic mass
- 638.11380018
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneazo)]bis[6-hydroxy-, disodium salt
- IUPAC
- disodium;5-[[4-[[4-[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]anilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-2-hydroxybenzoate
Names & synonyms
72139-21-0Benzoic acid, 3,3'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneazo)]bis[6-hydroxy-, disodium saltDTXSID00890185Benzoic acid, 3,3'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenylene-2,1-diazenediyl)]bis[6-hydroxy-, sodium salt (1:2)NS00062168Disodium 3,3'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(azanediyl-4,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoate)
Database identifiers
- CAS
72139-21-0- PubChem CID
- 166228
- DTXSID
DTXSID00890185- EC Number
- 276-377-2
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 3,3'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneazo)]bis[6-hydroxy-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,3'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenylene-2,1-diazenediyl)]bis[6-hydroxy-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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