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1,4-Benzenedipropanamide, N1,N4-bis(4-chloro-2-methoxy-5-methylphenyl)-beta1,beta4-dioxo-

HCID 80989
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6492-81-5
Standard SMILES
COc1cc(Cl)c(C)cc1NC(=O)CC(=O)c1ccc(C(=O)CC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIKey
VXHLISXRMLVWHM-UHFFFAOYSA-N
Molecular formula
C28H26Cl2N2O6
Average molar mass
557.4 g/mol
Monoisotopic mass
556.1167919

Names & identifiers

Preferred name
1,4-Benzenedipropanamide, N1,N4-bis(4-chloro-2-methoxy-5-methylphenyl)-beta1,beta4-dioxo-
IUPAC
3-[4-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropanoyl]phenyl]-N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxopropanamide
English name
4,4'-dichloro-2,2'-dimethoxy-5,5'-dimethyl-alpha,alpha'-terephthaloyldiacetanilide
Molecular formula
C28H26Cl2N2O6
Molecular weight
557.43

Names & synonyms

EINECS 229-371-91,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-beta,beta'-dioxo-1,4-Benzenedipropanamide, N1,N4-bis(4-chloro-2-methoxy-5-methylphenyl)-beta1,beta4-dioxo-RefChem:4162961,4-Benzenedipropanamide, N1,N4-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.1,.beta.4-dioxo-6492-81-54,4'-Dichloro-2,2'-dimethoxy-5,5'-dimethyl-alpha,alpha'-terephthaloyldiacetanilideDTXSID40983500VXHLISXRMLVWHM-UHFFFAOYSA-NAKOS0244209561,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.,.beta.'-dioxo-NS00047932
Show more names
C.I.37620Naphthol AS-L3GAzoic Coupling Component 33C.I.Azoic Coupling Component 33C.I.Azoic Coupling Component 33:C.I.376203,3'-(1,4-Phenylene)bis[N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxopropanamide]N,N'-Bis(4-chloro-5-methyl-2-methoxyphenyl)-β,β'-dioxo-1,4-benzenedipropionamide

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
38
Formal charge
0
Complexity
781

Physicochemical properties

EPA Substance Registry System
1 · 1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.,.beta.'-dioxo- (6492-81-5)
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 · 3 items

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4-Benzenedipropanamide, N1,N4-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.1,.beta.4-dioxo-: INACTIVE

Preparation methods

Preparation4-Chloro-2-methoxy-5-methylbenzenamine and 1,4-Benzenedicarboxylic acid,bis[2-(ethenylox)ethyl]estercondensation.

Upstream & downstream products

Upstream raw materials

4-Chloro-2-methoxy-5-methylaniline1,4-benzenedicarboxylic acid,bis[2-(ethenylox)ethyl]ester

Suppliers2 total

HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
3,3'-(1,4-Phenylene)bis[N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxopropanimidic acid]ALPHA,ALPHA'-TEREPHTHALOYL-BIS[4-CHLORO-5-METHYL-O-ACETANISIDIDE] (CI 37620)

Database identifiers

CAS
6492-81-5
PubChem CID
80989
DTXSID
DTXSID40983500
EC Number
229-371-9
Nikkaji
J73.277J