基本情報
- CAS
6505-28-8- 標準SMILES
COc1cc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(OC)c2)ccc1N=NC(C(C)=O)C(=O)Nc1ccccc1- InChIKey
DMPXHEMGDYKSFL-UHFFFAOYSA-N- 分子式
- C34H32N6O6
- 平均分子量
- 620.7 g/mol
- 単同位体質量
- 620.23833276
名称と識別子
- 優先名称
- Pigment Orange 16
- IUPAC
- 2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-oxo-N-phenylbutanamide
- 現地名
- 2,2'-[3,3'-ジメトキシ-4,4'-ビフェニリレンビス(アゾ)]ビス(3-オキソ-N-フェニルブタンアミド)
- 英語名
- Pigment Orange 16
- 分子式
- C34H32N6O6
- 分子量
- 620.65
名称と別名
6505-28-8TVN9QAX6UHEINECS 229-388-1C.I. 21160DTXSID608638902,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-oxo-N-phenylbutyramide)Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(3-oxo-N-phenyl-CI 21160Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-oxo-N-phenyl-Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]2,2'-((3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(3-OXO-N-PHENYLBUTANAMIDE)
名称をさらに表示
ジアニシジンオレンジバルカンオレンジC.I.ピグメントオレンジ162,2'-[(3,3'-ジメトキシ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス(3-オキソ-N-フェニルブタンアミド)2,2'-[3,3'-ジメトキシ-4,4'-ビフェニリレンビス(アゾ)]ビス(3-オキソ-N-フェニルブタンアミド)ピグメント オレンジ１６ピグメントオレンジ162,2′-[(3,3′-ジメトキシ-1,1′-ビフェニル-4,4′-ジイル)ビス(アゾ)]ビス(3-オキソ-N-フェニルブタンアミド)
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 160 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 13
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,000
実験および物理化学的性質
Physical DescriptionWet Solid; Dry Powder; CBI
物理化学的性質
- 沸点
- 810.2 · 810.2±65.0 °C(Predicted)
- 比重(密度)
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.62 · 8.62±0.59(Predicted)
- LogP
- 0.8 at · 0.8 at 23℃
- EPAの化学物質情報
- 2 · Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl- (6505-28-8)
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 93.4% (213 of 228) of all reports.
Not Classified
Aggregated GHS information provided per 228 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-
Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl- 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: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide] (EC: 229-388-1)
Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-: 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 - Selected benzidine-congener-based pigments: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- 化審法
- 5-3196
化学と産業
用途と製造
UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl-: ACTIVE
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