Basic information
- CAS
6470-31-1- Standard SMILES
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)[O-])c5ccccc5c4N)c(Cl)c3)cc2Cl)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]- InChIKey
NRXDNEXGDVFWIR-UHFFFAOYSA-L- Molecular formula
- C32H20Cl2N6Na2O6S2
- Average molar mass
- 765.6 g/mol
- Monoisotopic mass
- 764.00581828
Names & identifiers
- Preferred name
- Disodium 3,3'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-aminonaphthalene-1-sulphonate)
- IUPAC
- disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-1-sulfonate
- English name
- disodium 3,3'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)
- Molecular formula
- C32H20Cl2N6Na2O6S2
- Molecular weight
- 765.55334
Names & synonyms
6470-31-1Disodium 3,3'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-aminonaphthalene-1-sulphonate)disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-1-sulfonateC.I. DIRECT RED 61, DISODIUM SALTEINECS 229-296-1NRXDNEXGDVFWIR-UHFFFAOYSA-LDTXSID801023083C.I. Direct Red 61 disodium saltNS00046478C.I.23040Direct Red 61C.I.Direct Red 61
Show more names
C.I.Direct Red 61:C.I.23040disodium 3,3'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)3,3'-[(3,3'-Dichloro-1,1'-biphenyl-4,4'-diyl)bis(azo)]bis[4-amino-1-naphthalenesulfonic acid sodium] saltdisodium,4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,270
Chemistry & industry
Preparation methods
Preparation4-Aminonaphthalene-1-sulfonic acid double nitriding, and 4-Hydroxynaphthalene-1-sulfonic acid (2 Moore) coupled.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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