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4,4'-ビス[2-(4-モルホリニル)-4-アニリノ-1,3,5-トリアジン-6-イルアミノ]スチルベン-2,2'-ジスルホン酸ジナトリウム

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

HCID 27677
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
16090-02-1
標準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
分子式
C40H38N12O8S2. 2Na
平均分子量
924.9 g/mol
単同位体質量
924.21723713

名称と識別子

優先名称
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
現地名
4,4'-ビス[2-(4-モルホリニル)-4-アニリノ-1,3,5-トリアジン-6-イルアミノ]スチルベン-2,2'-ジスルホン酸ジナトリウム
英語名
Fluorescent brightener 71
分子式
C40H38N12Na2O8S2
分子量
924.91486

名称と別名

DTXSID00277774,4'-Bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2'-disulfonic acid disodium saltRefChem:198465DTXCID00103111516090-02-1Fluorescent brightener 71 Solution in Water, 100ug/mLSCHEMBL1079927SCHEMBL29349737AKOS030241901MSK000269-100Wdisodium 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]benzenesulfonate
名称をさらに表示
ユビテックスSDGブランコホルBBHC.I.フルオレッセントブライトナー2604,4'-ビス[2-アニリノ-4-(4-モルホリニル)-1,3,5-トリアジン-6-イルアミノ]スチルベン-2,2'-ジスルホン酸ジナトリウム2,2'-(1,2-エテンジイル)ビス[5-[[6-(フェニルアミノ)-4-モルホリノ-1,3,5-トリアジン-2-イル]アミノ]ベンゼンスルホン酸ナトリウム]ジナトリウム=2,2'-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イルアミノ)ベンゼンスルホナート]4,4'-ビス[2-(4-モルホリニル)-4-アニリノ-1,3,5-トリアジン-6-イルアミノ]スチルベン-2,2'-ジスルホン酸ジナトリウム

物性

構造計算による物性

極性表面積
282 Ų
水素結合供与体数
4
水素結合受容体数
20
回転可能結合数
12
重原子数
64
形式電荷
0
複雑度
1,490

実験および物理化学的性質

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

In water, 5 mg/l at 25 °C.

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

Flash Pointnot available
Decomposition · 2 件

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

300 °C

Melting Point>270 °C
Food Contact SubstancesFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description · 3 件

Dry Powder; Large Crystals

White solid; [ICSC] Off-white odorless granules or powder; [MSDSonline] Commercial form may also be aqueous slurry; [eChemPortal: SIDSUNEP]

WHITE POWDER OR GRANULES

Dissociation Constantslog Kow = 1.48
Autoignition Temperature>500 °C

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 4 件

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)

REACH registered substance: Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (EC: 240-245-2)

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 件

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]

化学と産業

薬理情報

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 件

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.

用途と製造

Uses · 4 件

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 件

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 件

EPA Safer Chemical Functional Use Classes -> Colorants

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

General Manufacturing Information

関連反応

1 件
反応記録を作成
HRID 1606231 の反応式
HRID 1606231生成物としてuspto-grants-1976_04

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
2,2'-(1,2-エテンジイル)ビス[5-[[4-モルホリノ-6-(フェニルアミノ)-1,3,5-トリアジン-2-イル]アミノ]ベンゼンスルホン酸]ジナトリウム
4,4'-ビス[(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イル)アミノ]-2,2'-スチルベンジスルホン酸ジナトリウム
CIフルオレスセント260
CI フルオレスセント260
フルオレスセント・260
フルオレスセント260
ジナトリウム=2,2'-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イルアミノ)ベンゼンスルホナート] (別名 CIフルオレスセント260)
ジナトリウム=2,2’-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イルアミノ)ベンゼンスルホナート]
ジナトリウム=2, 2'-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1, 3, 5-トリアジン-2-イルアミノ)ベンゼンスルホナート]
4,4′-ビス[(4-アニリノ-6-モルホリノ-1,3,5-トリアジン-2-イル)アミノ]スチルベン-2,2′-ジスルホン酸ジナトリウム
ジナトリウム=2,2′-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イルアミノ)ベンゼンスルホナート]
ジナトリウム=2,2′-ビニレンビス[5-(4-モルホリノ-6-アニリノ-1,3,5-トリアジン-2-イルアミノ)ベンゼンスルホナート](別名フルオレスセント-260)
1,2-ビス[2-(ソジオオキシスルホニル)-4-[[4-モルホリノ-6-(フェニルアミノ)-1,3,5-トリアジン-2-イル]アミノ]フェニル]エテン
MBBH 766
BELOTEXKD
Uvitex SDG
Mikephor TB
JADEADD CXT
Belofor KD 2
Heliofor 3BC
Heliofor BDC
Kayaphor MAS
Leukopur PAM
NS000772025-[(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

データベース識別子

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

物理化学的性質

融点
270 °C · >270 °C
比重(密度)
0.417 · 0.417-1.54[at 20℃]
蒸気圧
0 · 0-0Pa at 25℃
貯蔵温度
Refrigerator
溶解性
DMSO(微量)、メタノール(微量、加温)
外見
個体
色
ペールイエロー
水溶解度
1.223 · 1.223-1.9g/L at 20-25℃
LogP
-1.58 · -1.58-1.186 at 25℃
CAS データベース
16090 · 16090-02-1(CAS DataBase Reference)
EPAの化学物質情報
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) (16090-02-1)

化学的性質

化学的特性Pale Yellow Solid

EPA Safer ChemicalChemical: FWA-1
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive gases including nitrogen oxides and sulfur oxides.
Hazard Classes and Categories · 3 件

Aquatic Chronic 3 (37.4%)

Serious eye damage/eye irritation - Category 2B

Serious eye damage/eye irritation - Category 2B

安全と保護具

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

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 件

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 件

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.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust. Use breathing protection.
Effects of Short Term ExposureThe substance is mildly irritating to the eyes.

毒性情報

Environmental Fate · 3 件

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 件

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).
Environmental Biodegradation · 1 件

Laboratory experiments showed that fluorescent whitening agents used in detergents are not readily biodegradable. Tests which used the oxygen consumption over 5 days as a measure of the ability of fluorescent agents to serve a substrate for bacterial growth gave no evidence of biodegradation; C.I. Fluorescent Brightener 260 had a BOD5 of zero. 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(1).

Sediment/Soil Concentrations · 1 件

Fluorescent whitening agents are strongly adsorbed to soil. 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%. The sludge had been exposed to natural weather and non-agricultural conditions(1).

Environmental BioconcentrationA bioconcentration factor range of 1.4 to 28 in carp was determined for C.I. Fluorescent Brightener 260(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilSince C.I. Fluorescent Brightener 260 is an ionic compound, volatilization from water and moist soil surfaces is not expected to be an important fate process(1,SRC).
Non-Human Toxicity Excerpts · 5 件

FBA-260 GIVEN @ 40-1000 PPM IN DIET, HAD NO EFFECT ON REPRODUCTIVE PERFORMANCE OF RATS THROUGH 3 SUCCESSIVE 2-LITTER GENERATIONS.

NO SIGNIFICANT ADVERSE EFFECTS WHEN TINOPAL AMS WAS FED FOR 2 YR TO RATS @ LEVELS OF 40, 200 OR 1000 PPM & FED TO DOGS @ LEVELS OF 2000 PPM FOR 2 YR.

FBA-260 SHOWED NO MUTAGENICITY IN DOMINANT LETHAL TESTS WHEN GIVEN @ 5000 MG/KG, ORALLY, TO MICE.

SKIN TUMORS WERE PRODUCED IN HAIRLESS MICE AFTER SEVERAL MONTHS DAILY EXPOSURE TO UV, VISIBLE & IR IRRADIATION. PRETREATMENT WITH TINOPAL AMS DID NOT PRODUCE PHOTOTOXICITY OR ENHANCE PHOTOCARCINOGENESIS.

For more Non-Human Toxicity Excerpts (Complete) data for C.I. FLUORESCENT BRIGHTENER 260 (11 total), please visit the HSDB record page.

Environmental Abiotic Degradation · 1 件

C.I. Fluorescent Brightener 260 is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(1). Fluorescent whitening agents, which includes C.I. Fluorescent Brightener 260, have an UV absorption maximum between 340 to 360 nm in water and transform UV energy almost quantitatively into blue fluorescent light(2).

安全データ

tsca
TSCA listed
PRTR法
第1種指定化学物質
化審法
優先評価化学物質
有毒物質データの
16090-02-1(Hazardous Substances Data)
· 3 件

All Other Chemical Product and Preparation Manufacturing

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): ACTIVE

"TINOPAL" /IS/ TRADEMARK FOR GROUP OF OPTICAL BRIGHTENERS, WHICH ABSORB UV LIGHT IN NEAR VISIBLE RANGE & RE-EMIT THE ENERGY AS VISIBLE LIGHT. /TINOPAL/

応用分野 · 2 件

用途染料,蛍光増白剤 (NITE CHRIP)

使用(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.