基本情報
- CAS
6408-80-6- 標準SMILES
Cc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
RHCZISCTNGVWCV-UHFFFAOYSA-L- 分子式
- C21H14N2Na2O8S2
- 平均分子量
- 532.5 g/mol
- 単同位体質量
- 531.99869632
名称と識別子
- 優先名称
- C.I. Acid Blue 145
- IUPAC
- disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
- 英語名
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, sodium salt (1:)
- 分子式
- C21H14N2Na2O8S2
- 分子量
- 532.454
名称と別名
C.I. Acid Blue 1456408-80-6Acid Blue 145disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonateDisodium 1-amino-9,10-dihydro-4-[(4-methyl-2-sulphonatophenyl)amino]-9,10-dioxoanthracene-2-sulphonateSodium 1-amino-4-((4-methyl-2-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, sodium salt (1:2)2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)Disodium 1-amino-9,10-dihydro-4-((4-methyl-2-sulphonatophenyl)amino)-9,10-dioxoanthracene-2-sulphonateEINECS 229-069-7
名称をさらに表示
1-Amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-2-anthracenesulfonic acid, sodium salt2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, sodium salt
物性
構造計算による物性
- 極性表面積
- 203 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 2
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 976
物理化学的性質
- EPAの化学物質情報
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (72245-58-0)
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 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, disodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(4-methyl-2-sulfophenyl)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.
EPA Safer ChemicalChemical: C.I. Acid Blue 145
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Household ProductsInformation on 17 consumer products that contain Acid Blue 145 in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
General Manufacturing Information
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2): ACTIVE
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:?): INACTIVE
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