基本情報
- CAS
72705-24-9- 標準SMILES
COc1cc(S(=O)(=O)[O-])c(C)cc1NC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(C)=O.[NH4+].[Na+]- InChIKey
BPSOMXDZJFRMBW-UHFFFAOYSA-M- 分子式
- C26H26N5NaO9S3
- 平均分子量
- 671.7 g/mol
- 単同位体質量
- 671.07903523
名称と識別子
- 優先名称
- 7-Benzothiazolesulfonic acid, 2-(4-(2-(1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)-6-methyl-, ammonium sodium salt (1:1:1)
- IUPAC
- azanium;sodium;2-[4-[[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
名称と別名
72705-24-9EINECS 276-770-9DTXSID408902407-Benzothiazolesulfonic acid, 2-(4-(2-(1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)-6-methyl-, ammonium sodium salt (1:1:1)7-Benzothiazolesulfonic acid, 2-(4-((1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methyl-, monoammonium monosodium salt7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium salt7-Benzothiazolesulfonic acid, 2-[4-[2-[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]-6-methyl-, ammonium sodium salt (1:1:1)RefChem:105819DTXCID101079180C.I. DIRECT YELLOW 157Ammonium sodium 2-(4-((1-(((2-methoxy-5-methyl-4-sulphonatophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonateNS00019445
名称をさらに表示
Ammonium sodium 2-(4-{[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate (1/1/1)
物性
構造計算による物性
- 極性表面積
- 253 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 13
- 回転可能結合数
- 7
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,200
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% (119 of 119) of all reports.
Not Classified
Aggregated GHS information provided per 119 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium salt
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Ammonium sodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate (EC: 276-770-9)
Other Safety InformationIMAP assessments - 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
化学と産業
用途と製造
General Manufacturing Information7-Benzothiazolesulfonic acid, 2-[4-[2-[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]-6-methyl-, ammonium sodium salt (1:1:1): ACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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