基本情報
- CAS
10132-99-7- 標準SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc([N+](=O)[O-])cc(Cl)c1O.[Na+]- InChIKey
RDHAIEOCNXBZAH-UHFFFAOYSA-M- 分子式
- C16H11ClN5NaO7S
- 平均分子量
- 475.8 g/mol
- 単同位体質量
- 474.9965409
名称と識別子
- 優先名称
- Benzenesulfonic acid, 4-(4-(2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)
- IUPAC
- sodium 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
- 現地名
- 4-[[4-[(3-クロロ-2-ヒドロキシ-5-ニトロフェニル)アゾ]-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール]-1-イル]ベンゼンスルホン酸ナトリウム
- 英語名
- sodium 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
- 分子式
- C16H13ClN5NaO7S
- 分子量
- 477.81
名称と別名
10132-99-7EINECS 233-373-5DTXSID008844484-(4-((3-Chloro-2-hydroxy-5-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid, sodium saltBenzenesulfonic acid, 4-(4-(2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)Benzenesulfonic acid, 4-[4-[2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)RefChem:117973DTXCID3010238884-4-(3-chloro-2-hydroxy-5-nitrophenyl)azo-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-ylbenzenesulphonate (sodium salt)Benzenesulfonic acid, 4-(4-((3-chloro-2-hydroxy-5-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium saltBenzenesulfonic acid, 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium saltSodium 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-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
- 834
物理化学的性質
- 比重(密度)
- 1.72 · 1.72[at 20℃]
- EPAの化学物質情報
- 4 · Benzenesulfonic acid, 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium salt (10132-99-7)
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% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium salt
REACH registered substance: Sodium 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate (EC: 233-373-5)
Benzenesulfonic acid, 4-4-(3-chloro-2-hydroxy-5-nitrophenyl)azo-4,5-dihydro-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.
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonic acid, 4-[4-[2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1): INACTIVE
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