3-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonic acid
Basic information
- CAS
33508-55-3- Standard SMILES
Cc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
FFUPTYQEWMUQFD-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N6O6S2
- Average molar mass
- 569.4 g/mol
- Monoisotopic mass
- 567.9793299
Names & identifiers
- Preferred name
- 3-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonic acid
- IUPAC
- 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
- English name
- 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-o-tolyl]azo]naphthalene-1,5-disulphonic acid
- Molecular formula
- C20H14Cl2N6O6S2
- Molecular weight
- 569.4
Names & synonyms
33508-55-33-(2-(4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonic acid3-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonic acidRefChem:2735023-[(e)-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl}diazenyl]naphthalene-1,5-disulfonic acidEINECS 251-546-3SCHEMBL3691729SCHEMBL3691737DTXSID40275795FFUPTYQEWMUQFD-UHFFFAOYSA-NDTXSID7010382173-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-o-tolyl)azo)naphthalene-1,5-disulphonic acid
Show more names
3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-o-tolyl]azo]naphthalene-1,5-disulphonic acid3-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]azo]-1,5-naphthalenedisulfonic acid
NS000879701,5-Naphthalenedisulfonic acid, 3-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 999
Physicochemical properties
- Density
- 1.773 · 1.773±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.356 · -0.356±0.40(predicted)
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: 1,5-Naphthalenedisulfonic acid, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]azo]-
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]azo]-: Human health tier I assessment
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Compound notes
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