基本情報
- CAS
72828-68-3- 標準SMILES
CC(C)Nc1ccc(Nc2ccc(C(C)(C)C)cc2S(=O)(=O)[O-])c2c1C(=O)c1ccc(S(=O)(=O)[O-])c(O)c1C2=O.[Na+].[Na+]- InChIKey
FSNNTIUWZWTFTK-UHFFFAOYSA-L- 分子式
- C27H26N2Na2O9S2
- 平均分子量
- 632.6 g/mol
- 単同位体質量
- 632.08751132
名称と識別子
- 優先名称
- 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt
- IUPAC
- disodium;8-(4-tert-butyl-2-sulfonatoanilino)-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate
- 英語名
- 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl) -2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1 -methylethyl)amino]-9,10-dioxo-, sodium salt
- 分子式
- C27H28N2O9S2.xNa
- 分子量
- 0
名称と別名
83027-45-672828-68-32-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium saltEINECS 280-148-2DTXSID0013517572-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt (1:?)8-((4-(1,1-Dimethylethyl)-2-sulfophenyl)amino)-1-hydroxy-5-((1-methylethyl)amino)anthraquinone-2-sulfonic acid, sodium saltDisodium 8-((4-(1,1-dimethylethyl)-2-sulphonatophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxoanthracene-2-sulphonateNS000584802-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (1:2)
物性
構造計算による物性
- 極性表面積
- 210 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 11
- 回転可能結合数
- 5
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,160
物理化学的性質
- EPAの化学物質情報
- 2 · 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (72828-68-3)
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, disodium salt
2-Anthracenesulfonic acid, 8-4-(1,1-dimethylethyl)-2-sulfophenylamino-9,10-dihydro-1-hydroxy-5-(1-methylethyl)amino-9,10-dioxo-, disodium salt: 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.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (1:?): ACTIVE
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化合物ノート
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