3,3'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acid
Basic information
- CAS
25712-08-7- Standard SMILES
COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1NC(=O)Nc1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1OC- InChIKey
LARRMQDVFRFBIE-UHFFFAOYSA-N- Molecular formula
- C27H24N6O9S2
- Average molar mass
- 640.6 g/mol
- Monoisotopic mass
- 640.10461871
Names & identifiers
- Preferred name
- 3,3'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acid
- IUPAC
- 3-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
DTXSID6067127EINECS 247-203-23,3'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acidBenzenesulfonic acid, 3,3'-(ureylenebis((3-methoxy-p-phenylene)azo))diBenzenesulfonic acid, 3,3'-(carbonylbis(imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-Benzenesulfonic acid, 3,3'-(carbonylbis(imino(3-methoxy-4,1-phenylene)azo))bis-3,3'-[carbonylbis[imino(3-methoxy-p-phenylene)azo]]bis(benzenesulphonic) acidBenzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis-Benzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-RefChem:484914DTXCID5037367247-203-2
Show more names
25712-08-7SCHEMBL60007SCHEMBL13657038LARRMQDVFRFBIE-UHFFFAOYSA-NNS000279463,3'-{Carbonylbis[azanediyl(3-methoxy-4,1-phenylene)diazene-2,1-diyl]}di(benzene-1-sulfonic acid)
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,130
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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