基本情報
- CAS
61916-42-5- 標準SMILES
O=S(=O)([O-])c1cccc2c(N=Nc3c([O-])ccc4ccccc34)c([O-])ccc12.O=S(=O)([O-])c1cccc2c(N=Nc3c([O-])ccc4ccccc34)c([O-])ccc12.[Cr+3].[Na+].[Na+].[Na+]- InChIKey
PISPJALACQDOKQ-UHFFFAOYSA-H- 分子式
- C40H22CrN4O10S2.3Na
- 平均分子量
- 903.7 g/mol
- 単同位体質量
- 902.987548
名称と識別子
- 優先名称
- Chromate(3-), (3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))(6-(hydroxy-kappaO)-5-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))-, sodium (1:3)
- IUPAC
- trisodium;chromium(3+);bis(6-oxido-5-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate)
- 英語名
- trisodium [3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)][6-hydroxy-5-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)]chromate(3-)
- 分子式
- C40H22CrN4NaO10S2(-2)
- 分子量
- 857.74
名称と別名
EINECS 263-320-1DTXSID90904402Chromate(3-), (3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonato(3-))(6-hydroxy-5-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonato(3-))-, trisodiumChromate(3-), (3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-1-naphthalenesulfonato(3-))(6-(hydroxy-kappaO)-5-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-1-naphthalenesulfonato(3-))-, trisodiumChromate(3-), (3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))(6-(hydroxy-kappaO)-5-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))-, sodium (1:3)Trisodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)naphthalene-1-sulphonato(3-))(6-hydroxy-5-((2-hydroxy-1-naphthyl)azo)naphthalene-1-sulphonato(3-))chromate(3-)trisodium [3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)][6-hydroxy-5-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)]chromate(3-)
物性
構造計算による物性
- 極性表面積
- 273 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 14
- 回転可能結合数
- 4
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 665
物理化学的性質
- EPAの化学物質情報
- 3 · Chromate(3-), [3-(hydroxy-.kappa.O)-4-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-1-naphthalenesulfonato(3-)][6-(hydroxy-.kappa.O)-5-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-1-naphthalenesulfonato(3-)]-, trisodium (61916-42-5)
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P317, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Chromate(3-), [3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)][6-hydroxy-5-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, trisodium
Other Safety InformationIMAP assessments - Chromate(3-), [3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)][6-hydroxy-5-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, trisodium: Human health tier I assessment
Hazard Classes and CategoriesEye Dam. 1 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Chromate(3-), [3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-1-naphthalenesulfonato(3-)][6-(hydroxy-.kappa.O)-5-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-1-naphthalenesulfonato(3-)]-, sodium (1:3): ACTIVE
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