2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-
Basic information
- CAS
29120-26-1- Standard SMILES
O=S(=O)(O)c1ccc2c(N=Nc3c(O)cc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1- InChIKey
QTZMAXMJTAFVLL-UHFFFAOYSA-N- Molecular formula
- C20H14N2O11S3
- Average molar mass
- 554.5 g/mol
- Monoisotopic mass
- 553.97597279
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-
- IUPAC
- 3-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- HydroxyNaphtholBlue
- Molecular formula
- C20H14N2O11S3
- Molecular weight
- 554.53
Names & synonyms
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2-hydroxy-4-sulfo-1-naphthalenyl)azo)-2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-DTXSID608654702,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-RefChem:446070DTXCID4081387329120-26-13-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid3-hydroxy-4-((2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonic acidSCHEMBL1202311SCHEMBL1470812
Show more names
hydroxynaphthol blue, free acid1-(2-Hydroxy-4-sulfonaphthylazo)-2-naphthol-3,6-disulfonic acid1-(2-Naphtholazo-3,6-disulfonic acid)-2-naphthol-4-sulfonic acid2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(2-hydroxy-4- sulfo-1-naphthalenyl)azo]-
1-(2-hydroxy-4-sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid2-hydroxy-1-(2-hydroxy-4-sulfo-1-naphthylazo)-3,6-naphthalenedisulfonic acid
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- -0.68 · -0.68±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]- (29120-26-1)
- RIDADR
- 1759 · 1759
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- ridadr
- 1759
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-: ACTIVE
Applications
Description1-(2-Hydroxy-4-sulfonaphthylazo)-2-naphthol-3,6-disulfonic acid is commonly used as a textile dye due to its vibrant color and staining properties. The compound consists of a naphthol ring, diazo group, and sulfonic acid groups which are responsible for its solubility in water.
UsesHydroxy Naphthol Blue Sodium Salt is a sodium salt of Hydroxy Naphthol Blue; a calcium indicator azo-dye.
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Related reactions
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Compound notes
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