Sodium 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((4-((p-tolylsulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulfonate
基本情報
- CAS
67923-65-3- 標準SMILES
CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1.[Na+]- InChIKey
BEZDDGZIPYRWAX-UHFFFAOYSA-M- 分子式
- C23H17Cl2N4NaO7S2
- 平均分子量
- 619.4 g/mol
- 単同位体質量
- 617.9813409
概要
See other relationships...
名称と識別子
- 優先名称
- Sodium 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((4-((p-tolylsulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulfonate
- IUPAC
- sodium 2,5-dichloro-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
名称と別名
EINECS 267-782-5Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]-, sodium saltDTXSID00416407VC16392432,5-Dichloro-4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid, monosodium salt2-Pyrazolin-5-one, 1-(2,5-dichloro-4-sulfophenyl)-3-methyl-4-((4((p-toluenesulfonyl)oxy)phenyl)azo)-, sodium saltBenzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, sodium saltSodium 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((4-((p-tolylsulphonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulphonateSODIUM 2,5-DICHLORO-4-[4,5-DIHYDRO-3-METHYL-4-[[4-[(P-TOLYLSULPHONYL)OXY]PHENYL]AZO]-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATERefChem:886744DTXCID001765649267-782-5
名称をさらに表示
2,5-DICHLORO-4-((4,5-DIHYDRO-3-METHYL-4-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL)-1-YL)BENZENESULFONIC ACID SODIUM SALTJ317.227ISODIUM 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-4-((4-((P-TOLYLSULFONYL)OXY)PHENYL)AZO)-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONATE67923-65-3UNII-7VC1639243BEZDDGZIPYRWAX-UHFFFAOYSA-MNS00057191Sodium 2,5-dichloro-4-[3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonate
物性
構造計算による物性
- 極性表面積
- 175 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 1,150
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
Benzenesulfonic acid, 2,5-dichloro-4-4,5-dihydro-3-methyl-4-4-(4-methylphenyl)sulfonyloxyphenylazo-5-oxo-1H-pyrazol-1-yl-, sodium 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.
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