Basic information
- CAS
70833-54-4- Standard SMILES
O=S(=O)([O-])c1cc(Nc2nc(F)nc(Nc3ccc(Cl)cc3)n2)c2c(O)c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
UTIYORRFGQOXTE-UHFFFAOYSA-J- Molecular formula
- C29H15ClFN7Na4O13S4
- Average molar mass
- 944.1 g/mol
- Monoisotopic mass
- 942.8874012
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-(4-chloroanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- tetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- Molecular formula
- C29H15ClFN7Na4O13S4
- Molecular weight
- 944.1389832
Names & synonyms
70833-54-4DTXSID90890098EINECS 274-921-31,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 4-((4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((1,5-disulfo-2-naphthyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)RefChem:73524DTXCID7010790212-8-4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-disulphonato-2-naphthylazonaphthale ne-1,5-disulphonate (sodium salt)1,5-Naphthalenedisulfonic acid, 2-((8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt
Properties
Computed structural properties
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 6
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,790
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt (70833-54-4)
- 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 Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt
1,5-Naphthalenedisulfonic acid, 2-8-4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-disulfo-2-naphthalenylazo-, tetrasodium salt: 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 - 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
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Compound notes
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