Basic information
- CAS
72639-37-3- Standard SMILES
O=C(Nc1ccc(N=Nc2ccc(N=Nc3cc(S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)c2cccc(S(=O)(=O)[O-])c12)c1ccc2nc(Cl)c(Cl)nc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
LYUGIKBHVABFEQ-UHFFFAOYSA-J- Molecular formula
- C35H17Cl2N7Na4O13S4
- Average molar mass
- 1,034.7 g/mol
- Monoisotopic mass
- 1,032.8735008
Names & identifiers
- Preferred name
- 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;2-[[4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate
- English name
- 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro- 6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl ]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
- Molecular formula
- C35H21Cl2N7O13S4.4Na
- Molecular weight
- 1038.72
Names & synonyms
72639-37-3DTXSID108902371,4-Benzenedisulfonic acid, 2-((4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-5-sulfo-1-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-, tetrasodium salt1,4-Benzenedisulfonic acid, 2-(2-(4-(2-(4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4)1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4)RefChem:73086DTXCID401079177Tetrasodium 2-[(4-{[4-(2,3-dichloroquinoxaline-6-carboxamido)-5-sulfonatonaphthalen-1-yl]diazenyl}-7-sulfonatonaphthalen-1-yl)diazenyl]benzene-1,4-disulfonate2-[[4-[[4-[[(2,3-Dichloroquinoxalin-6-yl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-1,4-benzenedisulfonic acid tetrasodium salt
Properties
Computed structural properties
- Topological polar surface area
- 367 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 2,060
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt (72639-37-3)
- 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.
Hazard information
Regulatory InformationChemical: 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
Other Safety InformationIMAP assessments - 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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