Basic information
- CAS
57532-26-0- Standard SMILES
CC(=O)C(N=Nc1cccc(C(=O)O)c1C(=O)O)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cccc(C(=O)O)c2C(=O)O)C(C)=O)cc1Cl- InChIKey
IKYJRKWNYMEKNT-UHFFFAOYSA-N- Molecular formula
- C30H22Cl2N6O12
- Average molar mass
- 729.4 g/mol
- Monoisotopic mass
- 728.0672755
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-
- IUPAC
- 3-[[1-[2,5-dichloro-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]phthalic acid
- English name
- 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid
- Molecular formula
- C30H22Cl2N6O12
- Molecular weight
- 729.43
Names & synonyms
DTXSID508862301,2-Benzenedicarboxylic acid, 3,3'-((2,5-dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis-1,2-Benzenedicarboxylic acid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-RefChem:411139DTXCID70102556757532-26-03,3'-((2,5-Dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bisphthalic acid3,3'-[(2,5-Dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bisphthalic acidEINECS 260-795-7SCHEMBL11770847SCHEMBL11770856SCHEMBL11770860
Show more names
3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid3,3'-[(2,5-Dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis(1,2-benzenedicarboxylic acid)
IKYJRKWNYMEKNT-UHFFFAOYSA-NN,N'-Bis(alpha-(2',3'-dicarboxyphenylazo)acetoaceto)-2,5-dichloro-p-phenylenediamine1,2-Benzenedicarboxylic acid, 3,3'-((2,5-dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis-3,3'-((2,5-Dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxoethane-1,2-diyl)azo))bisphthalic acid3,3'-{(2,5-Dichloro-1,4-phenylene)bis[azanediyl(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl]}di(benzene-1,2-dicarboxylic acid)
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,3'-[(2,5-Dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bisphthalic acid (57532-26-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…