benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt
Basic information
- CAS
13390-47-1- Standard SMILES
CCOc1ccc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[Na+].[Na+]- InChIKey
VSSMQLIMSVAUDK-UHFFFAOYSA-L- Molecular formula
- C28H24N4Na2O8S3
- Average molar mass
- 686.7 g/mol
- Monoisotopic mass
- 686.05516582
Names & identifiers
- Preferred name
- benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt
- IUPAC
- disodium;5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]sulfanylbenzenesulfonate
- English name
- Acid yellow 38
- Molecular formula
- C28H24N4Na2O8S3
- Molecular weight
- 686.69
Names & synonyms
Benzenesulfonic acid, 2,2'-thiobis[5-[(4-ethoxyphenyl)azo]-, disodium saltBenzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium saltBenzenesulfonic acid, 2,2'-thiobis(5-(2-(4-ethoxyphenyl)diazenyl)-, sodium salt (1:2)Benzenesulfonic acid, 2,2'-thiobis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)RefChem:564045ACID YELLOW 3813390-47-1C.I. Acid Yellow 38disodium 2,2'-sulfanediylbis{5-[(e)-(4-ethoxyphenyl)diazenyl]benzenesulfonate}Acid Milling Yellowdisodium;5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]sulfanylbenzenesulfonateVSSMQLIMSVAUDK-UHFFFAOYSA-L
Show more names
CI 25135Milling Yellow Oacidyellow38(c.i.25135)C.I.Acid Yellow 38:C.I.25135sodium 2,2-thiobis(5-(4-ethoxyphenylazo)benzenesulphonate2,2’-thiobis[5-[(4-ethoxyphenyl)azo]-benzenesulfonicacidisodiumsalt
EINECS 236-465-3SCHEMBL2864464DTXSID5065431SCHEMBL29533569AKOS024428889Sodium 2,2'-thiobis(5-(4-ethoxyphenylazo)benzenesulphonate)Disodium 2,2'-sulfanediylbis{5-[(4-ethoxyphenyl)diazenyl]benzene-1-sulfonate}5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]sulfanylbenzenesulfonic acid
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,2'-thiobis[5-[(4-ethoxyphenyl)azo]-, disodium salt (13390-47-1)
- 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.
GHS classification
GHS Classification
H412 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2,2'-thiobis[5-[(4-ethoxyphenyl)azo]-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-thiobis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2): INACTIVE
Applications
UsesAcid Milling Yellow is an acid dye.
Preparation methods
Preparation2-(2-Sulfo-4-aminophenylthio)-5-aminobenzenesulfonic acid double nitriding, and phenol (2 Moore) coupling, and then under pressure to the hydroxyl ethyl with monomer (VCM).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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