2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline

Modify Date: 2026-08-14 06:46:08

2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline Structure
2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline structure
Common Name 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline
CAS Number 57729-76-7 Molecular Weight 430.55100
Density N/A Boiling Point N/A
Molecular Formula C13H5Cl3F3N3O4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C13H5Cl3F3N3O4
Molecular Weight 430.55100
Exact Mass 428.93000
PSA 103.67000
LogP 7.34500
InChIKey XFXLCSUQIILUJK-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

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2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline Structure

2,4-dinitro-N-(...

CAS#:57729-76-7

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Literature: ICI Patent: AT339089DE2509416 , 19771975 ; Chem.Abstr., 1976 , vol. 84, # 30639 Full Text Show Details Eli Lilly and Co. Patent: FR2325325DE2642148 , 19771977 ; Chem.Abstr., 1977 , vol. 87, # 52925

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  0

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,4-dinitro-2',4',6'-trichloro-6-trifluoromethyldiphenylamine

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: InChIKey of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is XFXLCSUQIILUJK-UHFFFAOYSA-N.
Q: What is the CAS number of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: CAS number of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is 57729-76-7.
Q: What English synonyms does 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline have?
A: English synonyms of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline: 2,4-dinitro-2',4',6'-trichloro-6-trifluoromethyldiphenylamine.
Q: What is the English name of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: The English name of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline.
Q: What is the SMILES notation of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: SMILES notation of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1.
Q: What is the polar surface area (PSA) of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: Polar surface area (PSA) of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is 103.67000.
Q: What is the molecular weight of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: Molecular weight of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is 430.55100.
Q: What is the Chinese name of 57729-76-7?
A: Chinese name of 57729-76-7 is 57729-76-7.
Q: What is the molecular formula of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: Molecular formula of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is C13H5Cl3F3N3O4.
Q: What is the LogP of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline?
A: LogP of 2,4-dinitro-N-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)aniline is 7.34500.
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