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)-
Basic information
- CAS
5580-57-4- Standard 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- Molecular formula
- C43H35Cl5N8O6
- Average molar mass
- 937 g/mol
- Monoisotopic mass
- 934.112219
Names & identifiers
- Preferred name
- 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
- English name
- 3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]
- Molecular formula
- C43H35Cl5N8O6
- Molecular weight
- 937.05
Names & synonyms
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)
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,680
Experimental & physicochemical properties
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
Physicochemical properties
- Boiling point
- 905.9 · 905.9±65.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 7.3 · 7.30±0.59(Predicted)
- LogP
- 0 at · 0 at 23℃
- FDA UNII
- 5 R5B6FX · XTA5R5B6FX
- EPA Substance Registry System
- 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)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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
Safety data
Chemistry & industry
Uses & manufacturing
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
Applications
UsesPigment Yellow 93 is a disazomethine dye with solid-state fluorescence.a biologically active chemical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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