[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-
Basic information
- CAS
78952-69-9- Standard SMILES
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)C(=O)Nc1ccc(C)cc1C- InChIKey
ZVYYAZLGILHNEO-UHFFFAOYSA-N- Molecular formula
- C36H36N6O10S2
- Average molar mass
- 776.8 g/mol
- Monoisotopic mass
- 776.19343371
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-
- IUPAC
- 5-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-[4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid
- English name
- 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid
- Molecular formula
- C36H36N6O10S2
- Molecular weight
- 776.84
Names & synonyms
EINECS 279-016-7DTXSID50888552(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)azo)-(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis(2-(1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]-4,4'-bis[[1-[[(2,4-Dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-4,4'-Bis((1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)azo)(1,1'-biphenyl)-2,2'-disulphonic acidRefChem:391038DTXCID001027829279-016-778952-69-9
Show more names
OMZRVHBMFUIIJK-HVMBLDELSA-N4,4'-Bis[[1-(2,4-dimethylphenylcarbamoyl)-2-oxopropyl]azo]biphenyl-2,2'-disulfonic acid1,1-Biphenyl-2,2-disulfonic acid, 4,4-bis1-(2,4-dimethylphenyl)aminocarbonyl-2-oxopropylazo-
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,520
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -1.5 · -1.50±0.50(Predicted)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]- (78952-69-9)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (173 of 173) of all reports.
Not Classified
Aggregated GHS information provided per 173 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-: ACTIVE
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Compound notes
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