Dinatrium-4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilben-2,2'-disulfonat

4,4'-bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium salt

HCID 27677CAS 16090-02-1

Grundinformationen

Standard-SMILES
O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIKey
VUJGKADZTYCLIL-UHFFFAOYSA-L
Summenformel
C40H38N12O8S2. 2Na
Durchschnittliche Molmasse
924,9 g/mol
Monoisotopische Masse
924,21723674

Namen und Bezeichner

Bevorzugter Name
4,4'-bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium salt
IUPAC
disodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Lokaler Name
Dinatrium-4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilben-2,2'-disulfonat
Englischer Name
Fluorescent brightener 71
Summenformel
C40H38N12Na2O8S2
Molmasse
924.91486

Namen und Synonyme

DTXSID00277774,4'-Bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium saltRefChem:198465DTXCID00103111516090-02-1SCHEMBL1079927SCHEMBL29349737AKOS030241901MSK000269-100Wdisodium 4,4'-bis(4-anilino-6-morpholino-s-triazin-2-ylamino)-2,2'-stilbenedisulfonatedisodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonateNS00077202
Weitere Namen anzeigen
MBBH 766BELOTEXKDUvitex SDGMikephor TBJADEADD CXTBelofor KD 2Heliofor 3BCHeliofor BDCKayaphor MASLeukopur PAM
Fluorescent brightener 71 Solution in Water, 100ug/mL5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(Z)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acidDisodium 2,2'-(ethene-1,2-diyl)bis(5-{[4-anilino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}benzene-1-sulfonate)disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]-stilbene-2,2'-disulfonate

Datenbank-Bezeichner

CAS
16090-02-1
PubChem CID
27677
DTXSID
DTXSID0027777
EC Number
240-245-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
282 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
20
Frei drehbare Bindungen
12
Schwere Atome
64

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Carbocyanine Dyes
LogP-1.5
Solubility · 2 Einträge

In water, 5 mg/l at 25 °C.

Solubility in water, g/100ml: 0.18 (slightly soluble)

Flash Pointnot available
Decomposition · 2 Einträge

When heated to decomposition it emits toxic vapaors of nitrous oxides and /hydrogen chloride/.

300 °C

Melting Point>270 °C

Physikochemische Eigenschaften

Schmelzpunkt
270 °C · >270 °C
Dichte
0.417 · 0.417-1.54[at 20℃]
Dampfdruck
0 · 0-0Pa at 25℃
storage temp.
Refrigerator
Löslichkeit
DMSO (Slightly), Methanol (Very Slightly, Heated)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 62.1% (231 of 372) of all reports.

H412 (37.4%): 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 372 reports by companies from 6 notifications to the ECHA C&L Inventory.

Warning

H320: Causes eye irritation [Warning Serious eye damage/eye irritation]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-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-(4-morpholinyl)-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)

Status: Active Update: 30-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14744

C.I. Fluorescent brightener 260: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt: Human health tier I assessment
Fire HazardsNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary · 1 Eintrag

A mild eye irritant; [ICSC] Two year oral studies of rats and dogs produced no notable adverse effects; [HSDB] A stilbene type brightener; A mild skin and eye irritant, based on animal studies; Almost totally eliminated in the feces of rats within 48 hours; [eChemPortal: SIDSUNEP] May cause eye irritation; [MSDSonline]

EPA Safer ChemicalChemical: FWA-1
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive gases including nitrogen oxides and sulfur oxides.

Sicherheit und Schutzausrüstung

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures · 4 Einträge

Fresh air, rest. Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth.

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage Disposal · 1 Eintrag

Personal protection: protective gloves and particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a recommended regression classification scheme(1), an estimated Koc value of 1800 (SRC), determined from a measured water solubility of 5 mg/l(2) and a recommended regression-derived equation(3), indicates that C.I. Fluorescent Brightener will have low mobility in soil(SRC). In one experiment, clean water was percolated through sludge containing fluorescent whitening agents. After 68 days the total amount leached from the original 216 mg C.I. Fluorescent Brightener 260 in 20 kg sludge was only 0.02%(6). As C.I. Fluorescent Brightener 3 is an ionic compound at environmental pHs, volatilization of this compound will not be important from moist soil surfaces(4,SRC). Based on limited data, C.I. Fluorescent Brightener 260 is expected to be resistant to aerobic biodegradation(SRC); C.I. Fluorescent Brightener 260 was not biodegraded in a standard 5 day BOD test(5).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1800(SRC), determined from a measured water solubility(3) and a recommended regression-derived equation(2), indicates that C.I. Fluorescent Brightener 260 may adsorb to suspended solids and sediment in water(SRC). However, due to the ionic nature of C.I. Fluorescent Brightener, the retention of the brightener by ion-exchange processes(4,SRC), particularly on clay surfaces, and adsorption at mineral surfaces such as geothite(5,SRC), may lead to increased adsorption on some sediment and particulate surfaces(SRC). As C.I. Fluorescent Brightener 260 is an ionic compound, volatilization from water surfaces is not expected(4,SRC). According to a classification scheme(6), a BCF range of 1.4 to 28 in carp(3) suggests that bioconcentration in aquatic organisms is low(SRC). Based on limited data, C.I. Fluorescent Brightener 260 is expected to be resistant to aerobic biodegradation in water(SRC); C.I. Fluorescent Brightener 260 was not biodegraded in a standard 5 day BOD test(7). In a river die-away test at which carbon dioxide production was measured in solutions of maximum 1000 ppb over a period of 35 days, no biodegradability was found(7).

ATMOSPHERIC FATE: The ionic state of C.I. Fluorescent Brightener 260 makes this compound essentially non-volatile(1,SRC), therefore this compound will only exist in the particulate phase in the ambient atmosphere. Particulate-phase C.I. Fluorescent Brightener 260 may be physically removed from the air by wet and dry deposition(SRC).

Signs and SymptomsRedness.
Effluent ConcentrationsSamples of 35 US rivers in 1974 showed concentration of fluorescent whitening agents up to 0.6 ppb upstream of a sewage treatment plant. Downstream concentrations were never above 40 ppb for C.I. Fluorescent Brightener 260(1).
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/Mobility · 1 Eintrag

The Koc of C.I. Fluorescent Brightener 260 is estimated as approximately 1800(SRC), using a water solubility of 5 mg/l(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that C.I. Fluorescent Brightener 260 is expected to have low mobility in soil(SRC). Due to the ionic nature of the brightener, the retention of C.I. Fluorescent Brightener 260 by ion-exchange processes(4,SRC), particularly on clay surfaces and adsorption at mineral surfaces such as geothite(5,SRC), may slow down or prevent leaching(SRC). In one experiment, clean water was percolated through sludge containing fluorescent whitening agents. After 68 days the total amount leached from the original 216 mg C.I. Fluorescent Brightener 260 in 20 kg sludge was only 0.02%(6).

Artificial Pollution SourcesC.I. Fluorescent Brightener 260's production and use in laundry detergents(1) may result in its release to the environment through various waste streams(SRC).

Sicherheitsdaten

tsca
TSCA listed
Giftige Stoffe Daten
16090-02-1(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Biological Half-LifeORAL DOSES OF 5 MG/KG (14)C-TINOPAL AMS TO RATS HAD RAPID & COMPLETE EXCRETION & RADIOACTIVITY T/2 OF 7-13 HR.
Absorption, Distribution and Excretion · 2 Einträge

INTUBATION IN RATS SHOWED LITTLE ABSORPTION FROM INTESTINAL TRACT. EXCRETED RAPIDLY IN FECES. PARENTERAL ADMIN TO RATS, RAPIDLY EXCRETED IN FECES; SMALL AMT IN TISSUES & ORGANS. ABSORPTION BY SKIN: SLIGHT.

ORAL DOSES OF 5 MG/KG (14)C-TINOPAL AMS TO RATS HAD RAPID & COMPLETE EXCRETION. MOST EXCRETION WAS VIA FECES. NO RADIOACTIVITY WAS FOUND IN BLOOD, LIVER, KIDNEY, BRAIN, MUSCLE OR FAT 96 HR AFTER DOSING.

Verwendung und Herstellung

Uses · 4 Einträge

Used as a dye for cotton fibers, soaps, and detergents; [HSDB] Used mostly (greater than 90%) in household detergents; Also used in paper and textile industries; [eChemPortal: SIDSUNEP]

Pulp and Paper Processing [Category: Industry]

DYE FOR COTTON FIBERS, SOAPS & DETERGENTS

IN HEAVY DUTY DETERGENT, TO WHITEN FABRICS; PLASTICS; FIBERS, COATINGS, WAXES... /TINOPAL/

U.S. Production · 3 Einträge

2023: 1,000,000 - <2,500,000 lb

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Consumer UsesDye
Industry UsesDye
Household ProductsInformation on 53 consumer products that contain Tinopal DMS in the following categories is provided:
Use Classification · 2 Einträge

EPA Safer Chemical Functional Use Classes -> Colorants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Anwendungen · 1 Eintrag

Verwenden(Fluorescent brightener 71)Fluorescent (optical) brighteners are known for their characteristics of protecting baculoviruses against deactivation by UV light and enhancing the activity of these agents as microbial insecticides on hosts and semipermissive hosts. Fluorescent brighteners improve the bioinsecticidal activity of Anticarsia gemmatalis nucleopolyhedrovirus.

Anbieter50 Anbieter

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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