基本情報
- CAS
5580-57-4- 標準SMILES
CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)cc1C- InChIKey
PFTIMORLWNOYIQ-UHFFFAOYSA-N- 分子式
- C43H35Cl5N8O6
- 平均分子量
- 937 g/mol
- 単同位体質量
- 934.112219
名称と識別子
- 優先名称
- Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-
- IUPAC
- 4-chloro-3-[[1-[5-chloro-4-[[2-[[2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(3-chloro-2-methylphenyl)benzamide
- 現地名
- 3,3'-[(2-クロロ-5-メチル-1,4-フェニレン)ビス(イミノ)ビス(1-アセチル-2-オキソ-2,1-エタンジイル)ビス(アゾ)]ビス[4-クロロ-N-(3-クロロ-2-メチルフェニル)ベンズアミド]
- 英語名
- 3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]
- 分子式
- C43H35Cl5N8O6
- 分子量
- 937.05
名称と別名
DTXSID40863570Benzamide, 3,3'-((2-chloro-5-methyl-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis(4-chloro-N-(3-chloro-2-methylphenyl)-Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-RefChem:561424DTXCID408121695580-57-43,3'-[(2-Chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]XTA5R5B6FX4-chloro-3-[[1-[5-chloro-4-[[2-[[2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(3-chloro-2-methylphenyl)benzamideBenzamide, 3,3'-((2-chloro-5-methyl-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis(4-chloro-N-(3-chloro-2-methylphenyl)-EINECS 226-970-73,3'-((2-Chloro-5-methyl-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo))bis(4-chloro-N-(3-chloro-o-tolyl)benzamide)
物性
構造計算による物性
- XLogP
- 11.1
- 極性表面積
- 200 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 10
- 回転可能結合数
- 14
- 重原子数
- 62
- 形式電荷
- 0
- 複雑度
- 1,680
実験および物理化学的性質
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionCBI
物理化学的性質
- 沸点
- 905.9 · 905.9±65.0 °C(Predicted)
- 比重(密度)
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 7.3 · 7.30±0.59(Predicted)
- LogP
- 0 at · 0 at 23℃
- EPAの化学物質情報
- 3 · Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)- (5580-57-4)
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% (243 of 243) of all reports.
Not Classified
Aggregated GHS information provided per 243 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)- 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: 3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide] (EC: 226-970-7)
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: <75,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
General Manufacturing Information
Paint and Coating Manufacturing
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-: ACTIVE
サプライヤー16 社
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [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…