2-Naphthalenesulfonic acid, 8-(2-(4-(2-(4-amino-3-sulfophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-5-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
Basic information
- CAS
70210-31-0- Standard SMILES
Nc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(NC(=O)c6ccccc6)ccc5c4O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
HIEDOYRWOABXMI-UHFFFAOYSA-J- Molecular formula
- C43H26N8Na4O14S4
- Average molar mass
- 1,098.9 g/mol
- Monoisotopic mass
- 1,098.0042094
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 8-(2-(4-(2-(4-amino-3-sulfophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-5-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
- IUPAC
- tetrasodium;3-[[4-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonate
- English name
- tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate
- Molecular formula
- C43H26N8Na4O14S4
- Molecular weight
- 1098.93082
Names & synonyms
DTXSID7072048EINECS 274-427-82-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt2-Naphthalenesulfonic acid, 8-((4-((4-amino-3-sulfophenyl)azo)-6-sulfo-1-naphthalenyl)azo)-5-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, tetrasodium salt2-Naphthalenesulfonic acid, 8-(2-(4-(2-(4-amino-3-sulfophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-5-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)Tetrasodium 8-((4-((4-amino-3-sulphonatophenyl)azo)-6-sulphonatonaphthyl)azo)-5-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-2-sulphonate2-Naphthalenesulfonic acid, 8-[2-[4-[2-(4-amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)Tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate
Properties
Computed structural properties
- Topological polar surface area
- 412 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 8
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 2,310
Physicochemical properties
- Boiling point
- 275 · 275-1618℃[at 101 325 Pa]
- Density
- 1.502 · 1.502-1.623[at 20℃]
- vapor pressure
- 0 · 0-0Pa at 25℃
- Water Solubility
- 4.44 · 4.44-18.67g/L at 20℃
- LogP
- -2.36 · -2.36--2.173 at 20-23℃
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt (70210-31-0)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (11 of 22) of reports.
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt
REACH registered substance: Tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate (EC: 274-427-8)
2-Naphthalenesulfonic acid, 8-4-(4-amino-3-sulfophenyl)azo-6-sulfo-1-naphthalenylazo-5-6-(benzoylamino)-1-hydroxy-3-sulfo-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 - 2-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (50%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 8-[2-[4-[2-(4-amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
Applications
UsesDirect blue 85 is a good dyeing agent for cotton fabrics.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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