基本情報
- CAS
4404-43-7- 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- InChIKey
CNGYZEMWVAWWOB-UHFFFAOYSA-N- 分子式
- C40H44N12O10S2
- 平均分子量
- 917 g/mol
- 単同位体質量
- 916.27447799
名称と識別子
- 優先名称
- 2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid
- IUPAC
- 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-sulfophenyl]ethenyl]benzenesulfonic acid
- 現地名
- 2,2'-(1,2-エテンジイル)ビス[5-[[4-[ビス(2-ヒドロキシエチル)アミノ]-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]
- 英語名
- Fluorescent brightener 28
- 分子式
- C40H44N12O10S2
- 分子量
- 916.98
名称と別名
C.I. FLUORESCENT BRIGHTENING AGENT 28DTXSID0029264Calcofluor White M2RCI FLUORESCENT BRIGHTENING AGENT 28RefChem:440098DTXCID308098862,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid4404-43-77S9P0Y4313Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-Calcofluor M2R
名称をさらに表示
4,4'-ビス[4-(フェニルアミノ)-6-[ビス(2-ヒドロキシエチル)アミノ]-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4,4'-ビス[4-アニリノ-6-[ビス(2-ヒドロキシエチル)アミノ]-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カルコフルア4,4'-ビス[[4-アニリノ-6-[ビス(2-ヒドロキシエチル)アミノ]-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4,4'-ビス[6-ビス(2-ヒドロキシエチル)アミノ-4-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
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 338 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 22
- 回転可能結合数
- 22
- 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
Collision Cross Section307.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044669]
物理化学的性質
- 融点
- 290 °C · 290°C
- 沸点
- 1311 ℃[at · 1311℃[at 101 325 Pa]
- 比重(密度)
- 1.598 · 1.598±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Store at RT.
- 溶解性
- DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
- 酸解離定数(Pka)
- -1.28 · -1.28±0.50(Predicted)
- 外見
- Solid
- 色
- Light Yellow to Yellow
- 水溶解度
- 80 g/L · 80g/L at 25℃
- 安定性
- Stable under recommended storage conditions., Stable Under Recommended Storage C
- LogP
- -3.5 · -3.5
- EPAの化学物質情報
- 28 · C.I. Fluorescent Brightening Agent 28 (4404-43-7)
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 73.9% (113 of 153) of all reports.
Warning
H319 (25.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
REACH registered substance: 4,4'-bis[4-[bis(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid (EC: 224-548-7)
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer ChemicalChemical: C.I. Fluorescent Brightening Agent 28
Hazard Classes and CategoriesEye Irrit. 2 (25.5%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
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
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 InformationBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-: ACTIVE
応用分野
使用Fluorescent Brightener 28 (Technical Grade) is used for the staining of fungi and as a viability stain. Dyes and metabolites.
上流・下流製品情報
上流原料
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