基本情報
- CAS
61931-83-7- 標準SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc(C)cc([N+](=O)[O-])c1O.[Na+]- InChIKey
OJGQFVLZBNVKPQ-UHFFFAOYSA-M- 分子式
- C17H14N5NaO7S
- 平均分子量
- 455.4 g/mol
- 単同位体質量
- 455.05116326
名称と識別子
- 優先名称
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
- IUPAC
- sodium 4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
名称と別名
61931-83-7EINECS 263-340-0DTXSID30886470Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)RefChem:117970DTXCID401025794C.I. Mordant red 94Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium saltSodium;4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonateBenzenesulfonic acid, 4-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium saltorb2566705
名称をさらに表示
DB-298975NS00055699T85977Sodium 4-{4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonateSodium p-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonateSodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1h-pyrazol-1-yl ]benzenesulphonate
物性
構造計算による物性
- 極性表面積
- 189 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 3
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 828
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。
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, 4-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium salt
Benzenesulfonic acid, 4-4,5-dihydro-4-(2-hydroxy-5-methyl-3-nitrophenyl)azo-3-methyl-5-oxo-1H-pyrazol-1-yl-, monosodium 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 InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1): INACTIVE
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