基本情報
- CAS
4193-55-9- 標準SMILES
O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
YJHDFAAFYNRKQE-UHFFFAOYSA-L- 分子式
- C40H42N12Na2O10S2
- 平均分子量
- 960.9 g/mol
- 単同位体質量
- 960.23836649
名称と識別子
- 優先名称
- Calcofluor White
- IUPAC
- disodium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
- 現地名
- フルオレスセント２８
- 英語名
- Fluorescent Brightener 28
- 分子式
- C40H45N12NaO10S2
- 分子量
- 940.98
名称と別名
CHEBI:50011RefChem:572424Calcofluor WhiteC.I. Fluorescent Brightener 28Disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonateC.I. Fluorescent Brightener 28, disodium saltSCHEMBL157626orb1987379DTXSID9044669SCHEMBL30548125Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonatedisodium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
名称をさらに表示
フルオレスセント２８cellufluorFluorescent Brightener 28 (Technical Grade)4,4’-bis[[2-Anilino-4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-6-yl]amino]stilbene-2,2’-disulfonicacid,disodiumsaltuvitex4bmfluostainikayaphorfbphorwiteartinopal5bms
物性
構造計算による物性
- 極性表面積
- 344 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 22
- 回転可能結合数
- 20
- 重原子数
- 66
- 形式電荷
- 0
- 複雑度
- 1,470
実験および物理化学的性質
Chemical ClassesDyes -> Carbocyanine Dyes
Physical DescriptionYellowish odorless solid; [OECD SIDS]
物理化学的性質
- 融点
- 290 °C · 290°C
- 比重(密度)
- 1.37 · 1.37[at 20℃]
- 蒸気圧
- 0 · 0-0Pa at 25℃
- 貯蔵温度
- Hygroscopic, Room Temperature, Under inert atmosphere
- 溶解性
- DMSO（わずかに、超音波処理）、メタノール（わずかに、加熱、超音波処理）
- 外見
- 個体
- 色
- 薄黄色～黄色
- 水溶解度
- 10 · 10-48.2g/L at 20-26℃
- 安定性
- 吸湿性
- InChIKey
- YJHDFAAFYNRKQE-YHPRVSEPSA-L
- SMILES
- [Na+].[Na+].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S([O-])(=O)=O)c(c3)S([O-])(=O)=O)n1
- LogP
- -3.5 · -3.5-0.95 at 25℃
- EPAの化学物質情報
- 2 · Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2) (4193-55-9)
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
This chemical does not meet GHS hazard criteria for 97.8% (268 of 274) of all reports.
Not Classified
Aggregated GHS information provided per 274 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (EC: 224-073-5)
Hazards Summary
A moderate eye irritant; [RTECS] Causes no skin irritation and minor eye irritation in rabbits; Not a skin sensitizer in a guinea pig maximization assay; In 2-year oral studies, male rats had minor reduction in body weigh and increased relative liver weight (considered adaptive); No effects noted for females at the highest tested doses; No evidence of developmental toxicity, teratogenicity, mutagenicity, or carcinogenicity; [OECD SIDS] An irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- WGK 1
- tsca
- TSCA listed
- 毒性
- LD50 orl-rat: 14,530 mg/kg MVCRB3 2,193,73
- ストレージクラス
- 12 - Non Combustible Liquids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
用途と製造
Uses
Used as a whitening agent for paper and textiles; Can be used to brighten polyamides; [OECD SIDS] Also used to make soaps and cleaning compounds; [Reference #1] Fluorochrome with affinity for chitin and cellulose. [ChemIDplus]
Pulp and Paper Processing [Category: Industry]
応用分野
使用Fluorescent brightener 28 (CAS# 4193-55-9) is a fluorescent whitening agent used for textiles.
サプライヤー81 社
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…