Basic information
- CAS
27344-41-8- Standard SMILES
O=S(=O)([O-])c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3S(=O)(=O)[O-])cc2)cc1.[Na+].[Na+]- InChIKey
PMPJQLCPEQFEJW-UHFFFAOYSA-L- Molecular formula
- C28H20Na2O6S2
- Average molar mass
- 562.6 g/mol
- Monoisotopic mass
- 562.04966926
Overview
See also: 4,4'-bis(2-sulfostyryl)biphenyl, disodium salt (annotation moved to).
Names & identifiers
- Preferred name
- Disodium distyrylbiphenyl disulfonate
- IUPAC
- disodium;2-[2-[4-[4-[2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
- English name
- Disodium 4,4'-bis(2-sulfostyryl)biphenyl
- Molecular formula
- C28H23NaO6S2
- Molecular weight
- 542.6
Names & synonyms
DTXSID6036467Disodium 4,4'-bis(2-sulfostyryl)biphenylDTXCID401646781G7704MYROPTIBLANC SXRefChem:1083852Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)disodium distyrylbiphenyl disulfonate27344-41-8Disodium 4,4'-Bis(2-sulfonatostyryl)biphenylMFCD00318874C28H20Na2O6S2
Show more names
Optical Brightener CBS-XSTILBENE 420fba351OPTICAL BRIGHTENER 3514,4'-BIS(2-SULFONATOSTYRYL)BIPHENYL DISODIUM SALTSTILBENE 3Brightener CBS-XOptical Brighter CBS-XFluorescent brightener 4BK
SCHEMBL183119CHEMBL3185170SCHEMBL29384434PMPJQLCPEQFEJW-UHFFFAOYSA-LAKOS0159623792,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-benzenesulfonic acid disodium saltdisodium;2-[2-[4-[4-[2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonateSY074633
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 852
Experimental & physicochemical properties
Chemical ClassesDyes -> Carbocyanine Dyes
CosmeticsSurfactant; Viscosity controlling
Physical Description
Dry Powder; Other Solid; Liquid; Other Solid
Yellow odorless powder; [Exciton MSDS] 29-31% Aqueous solution: Yellow odorless slurry; [Ciba MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300°C (dec.)
- Density
- 1.414 · 1.414
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Pale Green to Green
- Water Solubility
- 17.6 g/L · 17.6g/L at 20℃
- Cosmetics Ingredients Functions
- UV ABSORBERSURFACTANT - CLEANSINGVISCOSITY CONTROLLINGHAIR CONDITIONING
- InChIKey
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 1.3% (7 of 549) of reports.
Danger
H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 549 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, disodium salt
Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonate) (EC: 248-421-0)
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, disodium salt: Human health tier I assessment
Hazards Summary
Causes no skin and serious eye irritation in rabbits (classified by the EC as risk of serious damage to eyes); Not a skin sensitizer in guinea pigs; [IUCLID] Causes somnolence and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] May cause transient eye irritation; Not a skin irritant or sensitizer; [Exciton MSDS] 29-31% Aqueous solution: An eye irritant; [Ciba MSDS]
Chemistry & industry
Uses & manufacturing
UsesUsed as an optical brightener for detergents; [Ciba MSDS] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesBrightener
Industry UsesBrightener
Household Products
Information on 136 consumer products that contain Disodium Distyrylbiphenyl Disulfonate in the following categories is provided:
Information on 7 consumer products that contain Disodium distyrylbiphenyl disulfonate in the following categories is provided:
Use ClassificationCosmetics -> Surfactant; Viscosity controlling
General Manufacturing Information
Adhesive Manufacturing
Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2): ACTIVE
Applications
DescriptionStilbene 420 is a renowned chemical compound prominently employed in the biomedicine realm. It exhibits multifaceted applications in the study of assorted medical ailments encompassing cancer, diabetes, and cardiovascular maladies. Its exceptional adaptability as a potent constituent within pharmaceutical formulations instills promising prospects.
UsesDisodium 4,4'-bis(2-sulfostyryl)biphenyl can be used as a fluorescent whitening agent used for household goods.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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