HuagongsheHuagongshe Chemistry Print Report · For research reference only
C.I. Direct Red 81 disodium salt
Einecs 280-228-7 · 7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acid sodium salt · 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt · 7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulphophenyl)azo)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt · 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy- 3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, sodium salt

Identifiers & Physical Properties
| CAS No. | 2610-11-9 |
|---|---|
| Molecular formula | C29H19N5Na2O8S2 |
| Average molar mass | 675.6 g/mol |
| Monoisotopic mass | 675.04704313 g/mol |
| SMILES | O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1)c1ccccc1.[Na+].[Na+] |
| InChIKey | UFUQRRYHIHJMPB-UHFFFAOYSA-L |
| PubChem CID | 17462 |
| ChEMBL | CHEMBL3182005 |
| ChEBI | CHEBI:88191 |
| EC No. | 280-228-7 |
| DTXSID | DTXSID5041726 |
Chemical & Physical Properties
| Topological polar surface area | 230 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 6 |
| Heavy atoms | 46 |
| Formal charge | 0 |
| Complexity | 1,220 |
| Cosmetics | Hair dyeing |