基本情報
- CAS
75199-00-7- 標準SMILES
O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(NC(=O)c2ccc3nc(Cl)c(Cl)nc3c2)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
RJGNVZNQMMHZLS-UHFFFAOYSA-K- 分子式
- C25H12Cl2N7Na3O10S2
- 平均分子量
- 774.4 g/mol
- 単同位体質量
- 772.9157202
名称と識別子
- 優先名称
- 1h-pyrazole-3-carboxylic acid, 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt
- IUPAC
- trisodium;4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
- 現地名
- 4-[[4-[[(2,3-ジクロロキノキサリン-6-イル)カルボニル]アミノ]-2-(ソジオスルホ)フェニル]アゾ]-4,5-ジヒドロ-5-オキソ-1-[4-(ソジオスルホ)フェニル]-1H-ピラゾール-3-カルボン酸ナトリウム
- 英語名
- trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- 分子式
- C25H12Cl2N7Na3O10S2
- 分子量
- 774.40899
名称と別名
DTXSID108902721H-Pyrazole-3-carboxylic acid, 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)Trisodium 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateTrisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
物性
構造計算による物性
- 極性表面積
- 284 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 15
- 回転可能結合数
- 5
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,450
物理化学的性質
- 比重(密度)
- 1.81 · 1.81[at 20℃]
- EPAの化学物質情報
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt (75199-00-7)
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt
REACH registered substance: Trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (EC: 278-108-4)
1H-Pyrazole-3-carboxylic acid, 4-4-(2,3-dichloro-6-quinoxalinyl)carbonylamino-2-sulfophenylazo-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium 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 InformationIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3): ACTIVE
サプライヤー1 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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
読み込み中…