5-Chloro-3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-2-hydroxybenzenesulfonic acid
Basic information
- CAS
25747-06-2- Standard SMILES
O=S(=O)(O)c1cc(Cl)cc(N=Nc2ccc3c(O)cccc3c2O)c1O- InChIKey
IBYXVIWFHOXOFB-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O6S
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.0026349
Names & identifiers
- Preferred name
- 5-Chloro-3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-2-hydroxybenzenesulfonic acid
- IUPAC
- 5-chloro-3-[(1,5-dihydroxynaphthalen-2-yl)diazenyl]-2-hydroxybenzenesulfonic acid
- English name
- 5-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonic acid
- Molecular formula
- C16H11ClN2O6S
- Molecular weight
- 394.79
Names & synonyms
25747-06-25-Chloro-3-(2-(1,5-dihydroxy-2-naphthalenyl)diazenyl)-2-hydroxybenzenesulfonic acid5-Chloro-3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-2-hydroxybenzenesulfonic acidRefChem:3024745-Chloro-3-((1,5-dihydroxy-2-naphthyl)azo)-2-hydroxybenzenesulphonic acidEINECS 247-235-7SCHEMBL10898942DTXSID80948618IBYXVIWFHOXOFB-UHFFFAOYSA-NNS000483235-Chloro-3-[2-(1,5-dioxo-1,5-dihydronaphthalen-2-yl)hydrazin-1-yl]-2-hydroxybenzene-1-sulfonic acid5-Chloro-3-[2-(1,5-dioxo-1,5-dihydronaphthalen-2-yl)hydrazinyl]-2-hydroxybenzene-1-sulfonic acid
Show more names
C.I. Mordant Black 75-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonic acid5-Chloro-3-[(1,5-dihydroxynaphthalen-2-yl)azo]-2-hydroxybenzenesulfonic acidBenzenesulfonic acid, 5-chloro-3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-2-hydroxy-
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 627
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: Benzenesulfonic acid, 5-chloro-3-[(1,5-dihydroxy-2-naphthalenyl)azo]-2-hydroxy-
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 5-chloro-3-[(1,5-dihydroxy-2-naphthalenyl)azo]-2-hydroxy-: Human health tier I assessment
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Compound notes
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