基本情報
- 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
- 924.21723674
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
名称をさらに表示
データベース識別子
- CAS
16090-02-1- PubChem CID
- 27677
- DTXSID
DTXSID0027777- EC Number
- 240-245-2
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
Solubility
In water, 5 mg/l at 25 °C.
Solubility in water, g/100ml: 0.18 (slightly soluble)
Decomposition
When heated to decomposition it emits toxic vapaors of nitrous oxides and /hydrogen chloride/.
300 °C
Physical Description
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
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
安全と法規制
GHS分類
GHS Classification
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
Chemical: Benzenesulfonic acid, 2,2â²-(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
Hazards Summary
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]
Hazard Classes and Categories
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
First Aid Measures
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
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
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.
毒性情報
Environmental Fate
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).
Soil Adsorption/Mobility
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).
Environmental Biodegradation
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
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).
Non-Human Toxicity Excerpts
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
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)
化学と産業
薬理情報
Absorption, Distribution and Excretion
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
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
2023: 1,000,000 - <2,500,000 lb
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Use Classification
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
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
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.
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