基本情報
- CAS
70161-19-2- 標準SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(Oc4ccccc4S(=O)(=O)[O-])cc3)ccc(Nc3ccc(Oc4ccccc4S(=O)(=O)[O-])cc3)c21.[Na+].[Na+]- InChIKey
RRRIKVJQFOHOQZ-UHFFFAOYSA-L- 分子式
- C38H24N2Na2O10S2
- 平均分子量
- 778.7 g/mol
- 単同位体質量
- 778.06677588
名称と識別子
- 優先名称
- Benzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, sodium salt (1:2)
- IUPAC
- disodium;2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]anthracen-1-yl]amino]phenoxy]benzenesulfonate
- 英語名
- disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(imino-4,1-phenyleneoxy)]bis(benzenesulphonate)
- 分子式
- C38H24N2Na2O10S2
- 分子量
- 778.7141
名称と別名
70161-19-2EINECS 274-355-7DTXSID20890046Benzenesulfonic acid, ((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy))bis-, sodium salt (1:2)Benzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, sodium salt (1:2)RefChem:117750DTXCID301029298Disodium ((9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(imino-4,1-phenyleneoxy))bis(benzenesulphonate)Benzenesulfonic acid, ((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy))bis-, disodium saltBenzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, disodium saltRRRIKVJQFOHOQZ-UHFFFAOYSA-LNS00125935
名称をさらに表示
LANACETGREENBDinatrium-((9,10-dihydro-9,10-dioxo-1,4-anthrylen)bis(imino-4,1-phenylenoxy))bis(benzolsulfonat)disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(imino-4,1-phenyleneoxy)]bis(benzenesulphonate)Benzenesulfonic acid, (9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)bis-, disodium salt
Disodium 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl-4,1-phenyleneoxy)]di(benzene-1-sulfonate)disodium;2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]anthracen-1-yl]amino]phenoxy]benzenesulfonate
データベース識別子
- CAS
70161-19-2- PubChem CID
- 166100
- DTXSID
DTXSID20890046- EC Number
- 274-355-7
物性
構造計算による物性
- 極性表面積
- 208 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 12
- 回転可能結合数
- 8
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,330
物理化学的性質
- EPAの化学物質情報
- Benzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, disodium salt (70161-19-2)
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 25% (1 of 4) of reports.
Warning
H410 (75%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, disodium salt
Hazard Traits - Bioaccumulation; Environmental Persistence
Benzenesulfonic acid, (9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)bis-, 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.
Other Safety InformationIMAP assessments - N-substituted anthraquinone-based dyes with limited data availability: Human health tier II assessment
Hazard Classes and CategoriesAquatic Chronic 1 (75%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenyleneoxy)]bis-, sodium salt (1:2): ACTIVE
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