Basic information
- CAS
72927-70-9- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccc(S(=O)(=O)[O-])cc4)N=C3C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
IXEVSZSFDXDRLB-UHFFFAOYSA-J- Molecular formula
- C32H22N8Na4O14S4
- Average molar mass
- 962.8 g/mol
- Monoisotopic mass
- 961.9729092
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfonatophenyl]benzenesulfonate
- English name
- tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate
- Molecular formula
- C32H22N8Na4O14S4
- Molecular weight
- 962.78136
Names & synonyms
72927-70-9EINECS 277-018-2DTXSID90890255(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-, tetrasodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:4)(1,1'-Biphenyl)-2,2'-disulfonic acid,4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4'-sulfophenyl)-1H-pyrazol-4-yl)azo)-, tetrasodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, tetrasodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)RefChem:68029DTXCID701079190IXEVSZSFDXDRLB-UHFFFAOYSA-JNS00090728
Show more names
Tetrasodium 4,4-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)(1,1-biphenyl)-2,2-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 377 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 7
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,960
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, tetrasodium salt (72927-70-9)
- 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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4): 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-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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