Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
Basic information
- CAS
27344-06-5- Standard SMILES
NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]- InChIKey
KXZDXBWYWMOFCR-YHPRVSEPSA-L- Molecular formula
- C42H44N14Na2O10S2
- Average molar mass
- 1,015 g/mol
- Monoisotopic mass
- 1,014.26016457
Names & identifiers
- Preferred name
- Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
- IUPAC
- disodium;5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
- English name
- disodium 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- Molecular formula
- C42H47N14NaO10S2
- Molecular weight
- 995.04
Names & synonyms
EINECS 248-420-530I2S866LKDisodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonateEC 248-420-5Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium saltBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-1,3,5,-triazin-2-yl)amino)stilbene-2,2'-disulphonateDisodium 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALTBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Properties
Computed structural properties
- Topological polar surface area
- 390 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 22
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 1,670
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Density
- 1.456 · 1.456[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 1.9 · 1.9-57.4g/L at 20℃
- Cosmetics Ingredients Functions
- UV ABSORBER
- LogP
- -4.11 at · -4.11 at 25℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 30 I2S866LK · 30I2S866LK
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt (27344-06-5)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 312 · H312-H314-H302-H335
- Precautionary statements
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 76.3% (29 of 38) of all reports.
Danger
H302 (23.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, 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 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate (EC: 248-420-5)
EPA Safer ChemicalChemical: Fluorescent Brightener 230
Hazard Classes and CategoriesAcute Tox. 4 (23.7%)
Safety data
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesBrightener
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2): ACTIVE
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Compound notes
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