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2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]

HCID 73463
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
7147-42-4
Standard SMILES
COc1cc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(OC)c2)ccc1N=NC(C(C)=O)C(=O)Nc1ccccc1C
InChIKey
WYFHUBCFEZAVLO-UHFFFAOYSA-N
Molecular formula
C36H36N6O6
Average molar mass
648.7 g/mol
Monoisotopic mass
648.26963289

Names & identifiers

Preferred name
2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
IUPAC
2-[[2-methoxy-4-[3-methoxy-4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
English name
2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
Molecular formula
C36H36N6O6
Molecular weight
648.70764

Names & synonyms

DTXSID10864014Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2-methylphenyl)-3-oxo-Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2-methylphenyl)-3-oxobutyramide)2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]Butanamide, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(2-methylphenyl)-3-oxo-Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methylphenyl)-3-oxo-RefChem:440065DTXCID70812571230-458-9NSC166747147-42-4
Show more names
2,2'-[3,3'-Dimethoxy-4,4'-biphenylylenebis(azo)]bis(3-oxo-N-o-tolylbutanamide)2,2'-[(3,3'-Dimethoxy-1,1'-biphenyl-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutanamide]Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'- biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl )-3-oxo-

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
160 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
13
Heavy atoms
48
Formal charge
0
Complexity
1,080

Physicochemical properties

EPA Substance Registry System
2 · Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo- (7147-42-4)
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 ClassificationNot Classified

Hazard information

Regulatory Information · 2 items

Chemical: Butanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-

Hazard Traits - Bioaccumulation; Environmental Persistence

Other Safety InformationIMAP assessments - Selected benzidine-congener-based pigments: Human health tier II assessment
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanamide, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methylphenyl)-3-oxo-: ACTIVE

Suppliers1 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Butanamide der.EINECS 230-458-9NSC 16674WYFHUBCFEZAVLO-UHFFFAOYSA-NNSC-16674NS000432392,2'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis[N-(2-methylphenyl)-3-oxobutanamide]2-[(E)-[2-methoxy-4-[3-methoxy-4-[(E)-[1-(o-tolylcarbamoyl)-2-oxo-propyl]azo]phenyl]phenyl]azo]-N-(o-tolyl)-3-oxo-butanamide

Database identifiers

CAS
7147-42-4
PubChem CID
73463
DTXSID
DTXSID10864014
EC Number
230-458-9
Nikkaji
J227.396I