N,N'-Bis-(2,4-dinitrophenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diamine
Basic information
- CAS
12236-95-2- Standard SMILES
COc1cc(-c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JIHCTUPQGPSRBD-UHFFFAOYSA-N- Molecular formula
- C26H20N6O10
- Average molar mass
- 576.5 g/mol
- Monoisotopic mass
- 576.12409086
Names & identifiers
- Preferred name
- N,N'-Bis-(2,4-dinitrophenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diamine
- IUPAC
- 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
- English name
- N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diamine
- Molecular formula
- C26H20N6O10
- Molecular weight
- 576.47
Names & synonyms
29398-96-7T3G2BH0CASEINECS 249-605-3[1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-4,4'-Bis((2,4-dinitrophenyl)amino)-3,3'-dimethoxybiphenylMICROSOL BROWN 2RDTXSID6067464(1,1'-Biphenyl)-4,4'-diamine, N4,N4'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-C.I. 10407(1,1'-Biphenyl)-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-N,N'-Bis(2,4-dinitrophenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diamineN,N'-Bis-(2,4-dinitrophenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diamine
Show more names
C.I.10407Pigment Brown 22Microlith Brown 2R-NMicrolith Brown 2R-KMicrolith Brown 2R-AC.I. Pigment Brown 22N,N'-bis-(2,4-dinitro-phenyl)-3,3'-dimethoxy-benzidine1,1-Biphenyl-4,4-diamine, N,N-bis(2,4-dinitrophenyl)-3,3-dimethoxy-N,N'-Bis(2,4-dinitrophenyl)-3,3'-dimethoxy-(1,1'-biphenyl)-4,4'-diamine dihydrochloride
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 891
Physicochemical properties
- FDA UNII
- 3 G2BH0CAS · T3G2BH0CAS
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy- (29398-96-7)
- 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% (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
Chemical: [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
[1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-: 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
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-: ACTIVE
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Compound notes
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