N-(4-クロロ-2,5-ジメトキシフェニル)-2-[[2,5-ジメトキシ-4-[(フェニルアミノ)スルホニル]フェニル]アゾ]-3-オキソブタンアミド

Pigment Yellow 97

HCID 61559CAS 12225-18-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc(NC(=O)C(N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl
InChIKey: WNWZKKBGFYKSGA-UHFFFAOYSA-N
分子式: C26H27ClN4O8S
平均分子量: 591 g/mol
単同位体質量: 590.1238125

名称と識別子

優先名称: Pigment Yellow 97
IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl]-3-oxobutanamide
現地名: N-(4-クロロ-2,5-ジメトキシフェニル)-2-[[2,5-ジメトキシ-4-[(フェニルアミノ)スルホニル]フェニル]アゾ]-3-オキソブタンアミド
英語名: Pigment Yellow 97
分子式: C26H27ClN4O8S
分子量: 591.03

名称と別名

12225-18-2Permanent Yellow FGLNovoperm Yellow FGLColaryl Yellow FGL 30FAST YELLOW FGLNOVAPERM YELLOW FGLEINECS 235-427-38ZNH60AHS0COLANYL YELLOW FGL 30J34.088JC.I.11767Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-((2,5-dimethoxy-4-((phenylamino)sulfonyl)phenyl)azo)-3-oxo-

名称をさらに表示

パーマネントイエローFGLC.I.ピグメントイエロー97N-(4-クロロ-2,5-ジメトキシフェニル)-2-[[2,5-ジメトキシ-4-[(フェニルアミノ)スルホニル]フェニル]アゾ]-3-オキソブタンアミドピグメントエロー-97N-(4-クロロ-2,5-ジメトキシフェニル)-2-{2-[2,5-ジメトキシ-4-(フェニルスルファモイル)フェニル]ジアゼン-1-イル}-3-オキソブタンアミドC.I. 11767RW YELLOW FGLYellow FGL 130CIPIGMENTYELLOW97Pigment Yellow 97Paintco yellow 97WNWZKKBGFYKSGA-QVIHXGFCSA-NPigment yellow 97 (C.I. 11767)Fast Yellow FGL(Pigment Yellow 97)

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl]-3-oxobutanamideDTXSID9041736EC 235-427-3N-(4-Chloro-2,5-dimethoxyphenyl)-2-((2,5-dimethoxy-4-((phenylamino)sulphonyl)phenyl)azo)-3-oxobutyramideN-(4-CHLORO-2,5-DIMETHOXYPHENYL)-2-[[2,5-DIMETHOXY-4-[(PHENYLAMINO)SULPHONYL]PHENYL]AZO]-3-OXOBUTYRAMIDESM-9819Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-(2,5-dimethoxy-4-((phenylamino)sulfonyl)phenyl)diazenyl)-3-oxo-BUTANAMIDE, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)-2-((E)-2-(2,5-DIMETHOXY-4-((PHENYLAMINO)SULFONYL)PHENYL)DIAZENYL)-3-OXO-

データベース識別子

CAS: 12225-18-2
PubChem CID: 61559
DTXSID: DTXSID9041736
UNII: 8ZNH60AHS0
EC Number: 235-427-3
Nikkaji: J34.088J

物性

構造計算による物性

XLogP: 4.6
極性表面積: 162 Å²
水素結合供与体数: 2
水素結合受容体数: 11
回転可能結合数: 12
重原子数: 40
形式電荷: 0
複雑度: 974

実験および物理化学的性質

Physical DescriptionDry Powder; Dry Powder; Liquid

物理化学的性質

比重(密度): 1.2633 · 1.2633 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.61 · 1.6100 (estimate)
酸解離定数(Pka): 0.39 · 0.39±0.59(Predicted)
外見: Powder
LogP: 1.3 at · 1.3 at 26℃ and pH7
EPAの化学物質情報: 97 · C.I. Pigment Yellow 97 (12225-18-2)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (191 of 191) of all reports.

Not Classified

Aggregated GHS information provided per 191 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]azo]-3-oxo-

Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]diazenyl]-3-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]diazenyl]-3-oxo- 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: N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide (EC: 235-427-3)

Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-2,5-dimethoxy-4-(phenylamino)sulfonylphenylazo-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]azo]-3-oxo-: Human health tier I assessment

Hazard Classes and CategoriesNot Classified

安全データ

tsca: TSCA listed
化審法: 5-3175

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: <75,000 lb

Consumer UsesPigment

Industry UsesPigment

Household ProductsInformation on 2 consumer products that contain Pigment Yellow 97Ã¢â¬Â¨ in the following categories is provided:

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]diazenyl]-3-oxo-: ACTIVE

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