Basic information
- CAS
15110-84-6- Standard SMILES
COc1ccc(OC)c(NC(=O)C(N=Nc2ccc(-c3ccc(N=NC(C(C)=O)C(=O)Nc4cc(OC)ccc4OC)c(Cl)c3)cc2Cl)C(C)=O)c1- InChIKey
JCCCQHUBURSMDX-UHFFFAOYSA-N- Molecular formula
- C36H34Cl2N6O8
- Average molar mass
- 749.6 g/mol
- Monoisotopic mass
- 748.1815175
Overview
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Names & identifiers
- Preferred name
- 2,2'-((3,3'-Dichloro-4,4'-biphenylylene)bis(azo))bis(2',5'-dimethoxyacetoacetanilide)
- IUPAC
- 2-[[2-chloro-4-[3-chloro-4-[[1-(2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
Names & synonyms
Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,5-dimethoxyphenyl)-3-oxo-Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,5-dimethoxyphenyl)-3-oxo-2,2'-((3,3'-Dichloro-4,4'-biphenylylene)bis(azo))bis(2',5'-dimethoxyacetoacetanilide)2,2'-[(3,3'-dichloro-4,4'-biphenylylene)bis(azo)]bis[2',5'-dimethoxyacetoacetanilide]Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(2,5-dimethoxyphenyl)-3-oxo-Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,5-dimethoxyphenyl)-3-oxo-RefChem:440063239-160-315110-84-6EINECS 239-160-3SCHEMBL21436638DTXSID30864556
Show more names
JCCCQHUBURSMDX-UHFFFAOYSA-N2,2'-((3,3'-Dichloro-1,1'-biphenyl-4,4'-diyl)bis(azo))bis(N-(2,5-dimethoxyphenyl)-3-oxo-butanamide2,2'-(3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,5-dimethoxyphenyl)-3-oxobutanamide)Butanamide, 2,2'-((3,3'-dichloro-(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-N-2,5-dimethoxyphenyl-NS000518692,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis[N-(2,5-dimethoxyphenyl)-3-oxobutanamide]
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,180
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% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,5-dimethoxyphenyl)-3-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
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%.
General Manufacturing InformationButanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,5-dimethoxyphenyl)-3-oxo-: ACTIVE
Related reactions
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Compound notes
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