基本情報
- CAS
53523-90-3- 標準SMILES
Cc1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4c(C)cc(O)cc4C(=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc(C(=O)[O-])c1O.[Li+].[Li+].[Li+].[Li+]- InChIKey
JVMCOVLSSFCDRA-UHFFFAOYSA-J- 分子式
- C30H20Li4N4O12S2
- 平均分子量
- 720.5 g/mol
- 単同位体質量
- 720.1159282
名称と識別子
- 優先名称
- Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)-2,1-diazenediyl))bis(6-hydroxy-5-methyl-, lithium salt (1:4)
- IUPAC
- tetralithium;5-[[4-[2-[4-[(2-carboxylato-4-hydroxy-6-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-2-hydroxy-3-methylbenzoate
- 現地名
- 3,3'-[1,2-エテンジイルビス[(3-スルホ-4,1-フェニレン)アゾ]]ビス[6-ヒドロキシ-5-メチル安息香酸]テトラ(リチウム)
- 英語名
- tetralithium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis[3-methylsalicylate]
- 分子式
- C30H20Li4N4O12S2
- 分子量
- 720.3934
名称と別名
53523-90-3EINECS 258-605-2Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)azo))bis(6-hydroxy-5-methyl-, tetralithium saltTetralithium 5,5'-(vinylenebis((3-sulphonato-4,1-phenylene)azo))bis(3-methylsalicylate)Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)-2,1-diazenediyl))bis(6-hydroxy-5-methyl-, lithium salt (1:4)Tetralithium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis[3-methylsalicylate]Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-hydroxy-5-methyl-, lithium salt (1:4)Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, tetralithium saltRefChem:565681258-605-2DTXSID0068866Tetralithium 2-{[4-(2-{4-[(3-carboxylato-4-hydroxy-5-methylphenyl)diazenyl]-2-sulfonatophenyl}ethen-1-yl)-3-sulfonatophenyl]diazenyl}-5-hydroxy-3-methylbenzoate
名称をさらに表示
3,3'-[1,2-エテンジイルビス[(3-スルホ-4,1-フェニレン)アゾ]]ビス[6-ヒドロキシ-5-メチル安息香酸]テトラ(リチウム)
物性
構造計算による物性
- 極性表面積
- 301 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 16
- 回転可能結合数
- 6
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,420
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 溶解性
- 22 mg/L · 22mg/L in organic solvents at 20 ℃
- 水溶解度
- 240 g/L · 240g/L at 20℃
- LogP
- -4.04 at · -4.04 at 20℃
- EPAの化学物質情報
- 3 · Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, tetralithium salt (53523-90-3)
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% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-hydroxy-5-methyl-, lithium salt (1:4) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-hydroxy-5-methyl-, lithium salt (1:4) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Tetralithium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis[3-methylsalicylate] (EC: 258-605-2)
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information
Paper Manufacturing
Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-hydroxy-5-methyl-, lithium salt (1:4): ACTIVE
サプライヤー2 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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