Basic information
- CAS
70833-38-4- Standard SMILES
CCN(c1ccccc1)c1nc(F)nc(Nc2ccc3c(O)c(N=Nc4ccc(OC)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc3c2)n1.[Na+].[Na+]- InChIKey
RVHUTHFCUQUEQH-UHFFFAOYSA-L- Molecular formula
- C28H22FN7Na2O8S2
- Average molar mass
- 713.6 g/mol
- Monoisotopic mass
- 713.07506976
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)
- IUPAC
- disodium;7-[[4-(N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
- English name
- disodium 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
- Molecular formula
- C28H22FN7Na2O8S2
- Molecular weight
- 713.6243232
Names & synonyms
70833-38-4EINECS 274-917-1DTXSID308900972-Naphthalenesulfonic acid, 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)7-((4-(Ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)RefChem:88594DTXCID7010790192-Naphthalenesulfonic acid, 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium saltDisodium 7-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonate
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt (70833-38-4)
- 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: 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt
2-Naphthalenesulfonic acid, 7-4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-ylamino-4-hydroxy-3-(4-methoxy-2-sulfophenyl)azo-, disodium 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 - 2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2): ACTIVE
Related reactions
0 records
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Compound notes
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