Basic information
- Standard 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- Molecular formula
- C36H32Cl4N6O8
- Average molar mass
- 818.5 g/mol
- Monoisotopic mass
- 816.1035727
Names & identifiers
- Preferred name
- 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
- English name
- Pigment Yellow 83
- Molecular formula
- C36H32Cl4N6O8
- Molecular weight
- 818.49
Names & synonyms
Show more names
Database identifiers
- CAS
5567-15-7- PubChem CID
- 21733
- DTXSID
DTXSID1021453- UNII
- 67HO7X7FV3
- EC Number
- 226-939-8
- Nikkaji
- J225.023C
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,250
Experimental & physicochemical properties
Physical Description
Liquid; Liquid; Wet Solid; Other Solid; Dry Powder; Wet Solid; CBI; Dry Powder
Yellow powder; [Trust Chem MSDS]
Physicochemical properties
- Melting point
- 300 °C · > 300°C (dec.)
- Boiling point
- 876.7 · 876.7±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- form
- Solid
- pka
- 0.76 · 0.76±0.59(Predicted)
- color
- Yellow
- Stability
- Stable.
- Cosmetics Ingredients Functions
- COLORANT
- 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 DataBase Reference
- 5567 · 5567-15-7(CAS DataBase Reference)
- FDA UNII
- 67 HO7X7FV3 · 67HO7X7FV3
- EPA Substance Registry System
- 83 · C.I. Pigment Yellow 83 (5567-15-7)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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)
Hazard information
Regulatory Information
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
Hazards Summary
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
Not Classified
Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation)
Safety & protection
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Uses
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%.
Use Classification
Cosmetics -> Cosmetic colorant
Plastics -> Pigments agents
General Manufacturing Information
Furniture and Related Product Manufacturing
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-: ACTIVE
Applications
DescriptionPigment 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.
UsesPigment 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.
UsesPigment Yellow 83 is a diarylamide yellow pigment which may have photosensitizing as well as UV protection and solar reflectivity application.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
No reaction records under the current filter.
Linked notes
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