基本情報
- CAS
11136-49-5- 標準SMILES
Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)[O-])c(N=Nc4ccc(Nc5ccc(N=Nc6c(S(=O)(=O)[O-])cc7ccc(N=Nc8ccc(N)cc8N)cc7c6O)cc5S(=O)(=O)[O-])cc4)c(O)c3c2)c(N)c1.[Na+].[Na+].[Na+]- InChIKey
QTFHTNFVUCUDIR-UHFFFAOYSA-K- 分子式
- C44H32N13Na3O11S3
- 平均分子量
- 1,084 g/mol
- 単同位体質量
- 1,083.11994525
概要
structure in first source
名称と識別子
- 優先名称
- Direct Black 22
- IUPAC
- trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
名称と別名
6473-13-8Direct black 22C.I. DIRECT BLACK 22DTXSID7027629RefChem:476804DTXCID201509912229-326-3trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonateSodium 6-((2,4-diaminophenyl)diazenyl)-3-((4-((4-((7-((2,4-diaminophenyl)diazenyl)-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl)-2-sulfonatophenyl)amino)phenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonateMFCD00078136CCRIS 1390EINECS 229-326-3
名称をさらに表示
Formal Fast Black BDirect Black 22, tech.SCHEMBL29501255EINECS 280-246-5C.I. Direct Black 22, sodium saltAKOS025310834FD411442-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
データベース識別子
- CAS
11136-49-5、6473-13-8、83221-67-4、881844-06-0
物性
構造計算による物性
- 極性表面積
- 452 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 24
- 回転可能結合数
- 10
- 重原子数
- 74
- 形式電荷
- 0
- 複雑度
- 2,220
実験および物理化学的性質
Physical DescriptionDry Powder
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 26.2% (48 of 183) of reports.
Warning
H319 (66.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
危険有害性情報
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt
2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) 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)
2-Naphthalenesulfonic acid, 6-(2,4-diaminophenyl)azo-3-4-4-7-(2,4-diaminophenyl)azo-1-hydroxy-3-sulfo-2-naphthalenylazophenylamino-3-sulfophenylazo-4-hydroxy-, trisodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Irrit. 2 (66.1%)
Not Classified
Not Classified
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3): ACTIVE
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