Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
다이소듐 4,4’-비스(4-아닐리노-6-몰폴리노-1,3,5-트라이아진-2-일)아미노)스틸벤-2,2’-디설포네이트
다이소듐4,4’-비스(4-아닐리노-6-몰폴리노-1,3,5-트라이아진-2-일)아미노)스틸벤-2,2’-디설포네이트 · 형광증백제FWA-1 · 2,2'-(1,2-에텐다이일)비스[5-[[4-(4-모폴린일)-6-(페닐아미노)-1,3,5-트라이아진-2-일]아미노]벤젠설폰산, 다이소듐 염 · 2,2'-스틸벤다이설폰산, 4,4'-비스((4-아닐리노-6-모폴리노-S-트라이아진-2-일)아미노)-, 다이소듐 염 · 2,2'-스틸벤다이설폰산, 4,4'-비스[(4-아닐리노-6-모폴리노-s-트라이아진-2-일)아미노]-, 다이소듐 염 · 4,4'-비스(2-모폴리노-4-아닐리노-s-트라이아진일-6-아미노)스틸벤-2,2'-다이설폰산, 다이소듐 염 · 4,4'-비스[(2-아닐리노-4-모폴리노-1,3,5-트라이아진-6-일)아미노]-2,2'-스틸벤다이설폰산, 다이소듐 염 · 4,4'-비스[(6-아닐리노-4-모폴리노-1,3,5-트라이아진-2-일)아미노]-2,2'-다이설포스틸벤, 다이소듐 염
식별자 및 물리적 특성
| CAS No. | 16090-02-1 |
|---|---|
| 분자식 | C40H38N12O8S2. 2Na |
| 평균 분자량 | 924.9 g/mol |
| 단동위원소 질량 | 924.21723674 g/mol |
| 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 |
| PubChem CID | 27677 |
| EC No. | 240-245-2 |
| DTXSID | DTXSID0027777 |
| 현지명 | 다이소듐 4,4’-비스(4-아닐리노-6-몰폴리노-1,3,5-트라이아진-2-일)아미노)스틸벤-2,2’-디설포네이트 |
화학 및 물리적 성질
| 극성 표면적 | 282 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 20 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 64 |
| 형식 전하 | 0 |
| 복잡도 | 1,490 |
| 물질 분류 | Dyes -> Carbocyanine Dyes |
| LogP(분배 계수) | -1.5 |
| 용해도 | In water, 5 mg/l at 25 °C.Solubility in water, g/100ml: 0.18 (slightly soluble)DMSO(약간 용해됨), 메탄올(매우 소량, 가열) |
| 인화점 | not available |
| Decomposition | When heated to decomposition it emits toxic vapaors of nitrous oxides and /hydrogen chloride/.300 °C |
| 녹는점 | >270 °C |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Dry PowderLarge CrystalsWhite solid[ICSC] Off-white odorless granules or powder[MSDSonline] Commercial form may also be aqueous slurry[eChemPortal: SIDSUNEP]WHITE POWDER OR GRANULES |
| Dissociation Constants | log Kow = 1.48 |
| 자연 발화 온도 | >500 °C |
| 밀도 | 0.417-1.54[at 20℃] |
| 증기압 | 0-0Pa at 25℃ |
| 저장 조건 | Refrigerator |
| 물리적 상태 | 고체 |
| 색상 | 옅은 노랑 |
| 용해도 | 1.223-1.9g/L at 20-25℃ |
| LogP(분배 계수) | -1.58-1.186 at 25℃ |
| EPA | 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) |
화학적 성질
Pale Yellow Solid
안전 및 규제
| GHS 분류 | 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.WarningH320: Causes eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| 규제 정보 | 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/14744C.I. Fluorescent brightener 260: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP 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 |
| 화재 위험 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 유해성 요약 | A mild eye irritant[ICSC] Two year oral studies of rats and dogs produced no notable adverse effects[HSDB] A stilbene type brightenerA mild skin and eye irritant, based on animal studiesAlmost totally eliminated in the feces of rats within 48 hours[eChemPortal: SIDSUNEP] May cause eye irritation[MSDSonline] |
| EPA Safer Chemical | Chemical: FWA-1 |
| Chemical Dangers | Decomposes on heating and on burning. This produces toxic and corrosive gases including nitrogen oxides and sulfur oxides. |
| Hazard Classes and Categories | Aquatic Chronic 3 (37.4%)Serious eye damage/eye irritation - Category 2B |
| 소화 | In case of fire in the surroundings, use appropriate extinguishing media. |
| 응급 조치 | 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. |
| 처리 방법 | 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. |
| 누출 처리 | 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 Prevention | Wear safety goggles. |
| Inhalation Risk | A nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust. Use breathing protection. |
| Effects of Short Term Exposure | The substance is mildly irritating to the eyes. |
| 환경 거동 | 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 Symptoms | Redness. |
| Effluent Concentrations | Samples 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 Data | The substance is harmful to aquatic organisms. |
| 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). |
| Artificial Pollution Sources | C.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 | 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 biodegradationC.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). |
| Environmental Bioconcentration | A 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/Soil | Since 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 | 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). |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-07695 |
| 유해 물질 데이터 | 16090-02-1(Hazardous Substances Data) |
용도
용도
(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.