Basic information
- CAS
73385-03-2- Standard SMILES
COc1ccc(NC(=O)C(N=Nc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])C(C)=O)cc1.COc1ccc(NC(=O)C(N=Nc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])C(C)=O)cc1.[Ca+2]- InChIKey
LJZNJAZFGMKGKA-UHFFFAOYSA-L- Molecular formula
- C34H30CaN8O16S2
- Average molar mass
- 910.9 g/mol
- Monoisotopic mass
- 910.0847101
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[2-[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)
- IUPAC
- calcium bis(4-[[1-(4-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-nitrobenzenesulfonate)
- English name
- calcium bis[4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
- Molecular formula
- C34H30CaN8O16S2
- Molecular weight
- 910.854
Names & synonyms
73385-03-2EINECS 277-421-3DTXSID80891074Butanamide, 2-((2-nitro-4-sulfophenyl)azo)-N-(4-methoxyphenyl)-3-oxo-, calcium salt (2:1)Benzenesulfonic acid, 4-(2-(1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-3-nitro-, calcium salt (2:1)Benzenesulfonic acid, 4-[2-[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)RefChem:117937DTXCID101030322Benzenesulfonic acid, 4-((1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)azo)-3-nitro-, calcium salt (2:1)Benzenesulfonic acid, 4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)85005-80-7SCHEMBL20271508
Show more names
C.I.13955Pigment Yellow 169C.I.Pigment Yellow 1694-[[1-(4-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-nitrobenzenesulfonatecalcium bis[4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
Properties
Computed structural properties
- Topological polar surface area
- 383 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1) (73385-03-2)
- 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 ClassificationNot Classified
Hazard information
Regulatory Information
Benzenesulfonic acid, 4-1-(4-methoxyphenyl)aminocarbonyl-2-oxopropylazo-3-nitro-, calcium salt (2:1): 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.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[2-[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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