基本情報
- CAS
6359-86-0- 標準SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc([N+](=O)[O-])ccc1O.[Na+]- InChIKey
JXOVBZBVMDRWSE-UHFFFAOYSA-M- 分子式
- C16H12N5NaO7S
- 平均分子量
- 441.4 g/mol
- 単同位体質量
- 441.03551319
概要
See other relationships...
名称と識別子
- 優先名称
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
- IUPAC
- sodium 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
名称と別名
DTXSID10884272Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-hydroxy-5-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-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)Sodium p-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonateSodium p-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonateRefChem:564495DTXCID701023723228-811-76359-86-02-Pyrazolin-5-one, 4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-1-(p-sulfophenyl)-, sodium saltsodium;4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonateBenzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium salt
名称をさらに表示
Benzenesulfonic acid, 4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium saltEINECS 228-811-7Java Chrome Orange GRC.I.Mordant Orange 3SCHEMBL29543570FM39414NS000433334- [4, 5- Dihydro- 4- [2- (2- hydroxy- 5- nitrophenyl) diazenyl] - 3- methyl- 5- oxo- 1H- pyrazol- 1- yl] - benzenesulfonic acid sod ium salt
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
- 30
- 形式電荷
- 0
- 複雑度
- 797
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1): INACTIVE
関連反応
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