2,2'-[(3,3'-ジクロロ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス[N-(4-クロロ-2,5-ジメトキシフェニル)-3-オキソブタンアミド]

C.I. Pigment Yellow 83

HCID 21733CAS 5567-15-7

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=Nc2ccc(-c3ccc(N=NC(C(C)=O)C(=O)Nc4cc(OC)c(Cl)cc4OC)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl
InChIKey: NKXPXRNUMARIMZ-UHFFFAOYSA-N
分子式: C36H32Cl4N6O8
平均分子量: 818.5 g/mol
単同位体質量: 816.1035727

名称と識別子

優先名称: C.I. Pigment Yellow 83
IUPAC: 2-[[2-chloro-4-[3-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
現地名: 2,2'-[(3,3'-ジクロロ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス[N-(4-クロロ-2,5-ジメトキシフェニル)-3-オキソブタンアミド]
英語名: Pigment Yellow 83
分子式: C36H32Cl4N6O8
分子量: 818.49

名称と別名

5567-15-7CI 211082,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramide]EINECS 226-939-867HO7X7FV3C.I. 21108DTXSID1021453EC 226-939-82,2'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramide)Acetoacetanilide, 2,2''-((3,3'-dichloro-4,4'-biphenylylene)bis(azo))bis(4'-chloro-2',5'-dimethoxy-Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-

名称をさらに表示

2,2'-[(3,3'-ジクロロ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス[N-(4-クロロ-2,5-ジメトキシフェニル)-3-オキソブタンアミド]C.I.ピグメントイエロー83ピグメントエロ８３ピグメントエロー-832,2′-[(3,3′-ジクロロ-1,1′-ビフェニル-4,4′-ジイル)ビス(アゾ)]ビス[N-(4-クロロ-2,5-ジメトキシフェニル)-3-オキソブタンアミド]N-(4-クロロ-2,5-ジメトキシフェニル)-2-{2-[3,3'-ジクロロ-4'-(2-{1-[(4-クロロ-2,5-ジメトキシフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)-[1,1'-ビフェニル]-4-イル]ジアゼン-1-イル}-3-オキソブタンアミドYM02PY-83C.I.P.Y.83YONGGUHUANGHRPY83 YELLOW HRPVFASTYELLOWHRPY83 YELLOW HREPY83 YELLOW HRPPigmentgelb 8316

Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-Permanent Yellow HRImperial YellowNovoperm GelbNovopermGelb HRPigmentgelb 83Panax Yellow 3RSpecial Yellow HR

データベース識別子

CAS: 5567-15-7
PubChem CID: 21733
DTXSID: DTXSID1021453
UNII: 67HO7X7FV3
EC Number: 226-939-8
Nikkaji: J225.023C

物性

構造計算による物性

XLogP: 9.2
極性表面積: 179 Å²
水素結合供与体数: 2
水素結合受容体数: 12
回転可能結合数: 15
重原子数: 54
形式電荷: 0
複雑度: 1,250

実験および物理化学的性質

Chemical ClassesDyes -> Azo Dyes

PolymersPlastics -> Pigments agents

CosmeticsCosmetic colorant

Physical Description · 2 件

Liquid; Liquid; Wet Solid; Other Solid; Dry Powder; Wet Solid; CBI; Dry Powder

Yellow powder; [Trust Chem MSDS]

物理化学的性質

融点: 300 °C · > 300°C (dec.)
沸点: 876.7 · 876.7±65.0 °C(Predicted)
比重(密度): 1.43 · 1.43±0.1 g/cm3(Predicted)
貯蔵温度: Refrigerator
外見: 個体
酸解離定数(Pka): 0.76 · 0.76±0.59(Predicted)
色: 黄色
安定性: 安定。
化粧品成分の機能: 着色剤
InChIKey: NKXPXRNUMARIMZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(N=NC(C(=O)C)C(NC3=CC(OC)=C(Cl)C=C3OC)=O)C(Cl)=C2)=CC=C(N=NC(C(=O)C)C(NC2=CC(OC)=C(Cl)C=C2OC)=O)C(Cl)=C1
LogP: 0.02 at · 0.02 at 24℃ and pH7
CAS データベース: 5567 · 5567-15-7(CAS DataBase Reference)
EPAの化学物質情報: 83 · C.I. Pigment Yellow 83 (5567-15-7)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 99.5% (937 of 942) of all reports.

Not Classified

Aggregated GHS information provided per 942 reports by companies from 6 notifications to the ECHA C&L Inventory.

Warning

H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-

Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-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: 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramide] (EC: 226-939-8)

Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Selected benzidine-congener-based pigments: Human health tier II assessment

Hazards Summary · 1 件

A mild skin and eye irritant in rabbits; Other supporting chemicals demonstrate no evidence of skin sensitization in guinea pigs; No systemic toxicity in repeated-dose inhalation and oral studies of rats (doses up to 410 mg/m3 and 2,500 mg/kg/day); No systemic, reproductive, or developmental toxicity in a combined study of rats at doses up to 1,000 mg/kg/day; No evidence of carcinogenicity in rats or mice; [EPA ChAMP: Screening Level Hazard Characterization] No known significant health hazards; [Trust Chem MSDS]

Hazard Classes and Categories · 2 件

Not Classified

Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation)

安全と保護具

Exposure Control and Personal Protection0.3 [mg/m3], respirable fraction[German Research Foundation (DFG)]

安全データ

tsca: TSCA listed
化審法: 5-3169

化学と産業

用途と製造

Uses · 3 件

Used in the chemical, paints-lacquers-varnishes, polymers, and textile processing industries; Used as a coloring agent; [IUCLID] Used to formulate/dye pigments, adhesives-sealants, paints-coatings-thinners, inks-toners, textiles, leather, paper-board, metal surface treatment products (including those for galvanizing and electroplating), non-metal surface treatment products, polymers, fertilizers, washing-cleaning products, polishes-waxes, fillers-putties-plasters, and cosmetics-personal care products; [ExPub: ECHA REACH Registrations]

Pulp and Paper Processing [Category: Industry]

Substance 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: 2,500,000 - <4,000,000 lb

Consumer UsesPigment

Industry UsesDye

Household ProductsInformation on 5 consumer products that contain CI 21108 in the following categories is provided:

Use Classification · 2 件

Cosmetics -> Cosmetic colorant

Plastics -> Pigments agents

応用分野 · 2 件

説明Pigment Yellow 83 is a transparent red shade yellow pigment with very high color strength. It’s processing temperature less than 180℃. Comparable with Clariant HR02, HR, HR70.P.Y.83 is redder than pigment yellow 13, The pigment concentration required for 1/3 SD HDPE coloration (1% TiO 2 ) is only 0.08%.P.Y.83 shows good to very good resistance to most solvents, no migration in plasticized PVC even at low pigment levels. It does not bleed or bloom.DCC Yellow HRO has good weathering durability in saturated colours, and good fastness to heat, solvents and acids/alkali. These properties and its excellent opacity make it a very cost effective choice for use in industrial fast drying and oven cured coatings to achieve mid to red shade saturated yellows. In this respect it is an ideal alternative for Medium Chrome pigments.

使用Pigment Yellow 83 (C.I. 21108) is an AADMCA Diarylide Yellow pigment suitable for inks, coating and plastic applications.Diarylide Yellow (PY83) pigments offer better solvent and migration resistance than Monoazo Yellow pigments making them a good pigment for inks, plastics and coatings applications.

上流・下流製品情報

上流原料

4'-クロロ-2',5'-ジメトキシアセトアセトアニリド酢酸ナトリウムぎ酸

サプライヤー50 社

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