CAS No.1821-27-8,4,4'-DINITRODIPHENYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1821-27-8
Name:	4,4'-DINITRODIPHENYLAMINE
Article Data:	80

Formula:	C₁₂H₉N₃O₄
Molecular Weight:	259.221
Synonyms:	Diphenylamine,4,4'-dinitro- (7CI,8CI);4,4'-Dinitrodiphenylamine;Bis(4-nitrophenyl)amine;Bis(p-nitrophenyl)amine;NSC 36659;
EINECS:	217-343-9
Density:	1.446 g/cm³
Melting Point:	216 °C
Boiling Point:	464.1 °C at 760 mmHg
Flash Point:	234.4 °C
Appearance:	yellow crystal
PSA:	103.67000
LogP:	4.36600

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Specification

This chemical is called Benzenamine, 4-nitro-N-(4-nitrophenyl)-, and its systematic name is 4-nitro-N-(4-nitrophenyl)aniline. With the molecular formula of C₁₂H₉N₃O₄, its molecular weight is 259.22. The CAS registry number of this chemical is 1821-27-8. Additionally, its product categories are Aromatics Compounds; Aromatics.

Other characteristics of the Benzenamine, 4-nitro-N-(4-nitrophenyl)- can be summarised as followings: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 94.88 Å²; (7)Index of Refraction: 1.693; (8)Molar Refractivity: 68.71 cm³; (9)Molar Volume: 179.1 cm³; (10)Polarizability: 27.24×10^-24cm³; (11)Surface Tension: 66.4 dyne/cm; (12)Density: 1.446 g/cm³; (13)Flash Point: 234.4 °C; (14)Enthalpy of Vaporization: 72.54 kJ/mol; (15)Boiling Point: 464.1 °C at 760 mmHg; (16)Vapour Pressure: 8.63E-09 mmHg at 25°C.

Production method of this chemical: The Benzenamine, 4-nitro-N-(4-nitrophenyl)- could be obtained by the reactants of 4-nitro-aniline and 1-chloro-4-nitro-benzene. This reaction needs the reagent of cupro iodide, potassium carbonate.

Uses of this chemical: The Benzenamine, 4-nitro-N-(4-nitrophenyl)- could react with 4-fluoro-benzophenone, and obtain the {4-[bis-(4-nitro-phenyl)-amino]-phenyl}-phenyl-methanone. This reaction needs the reagent of K₂CO₃, and the solvent of dimethylsulfoxide. The yield is 33 %. In addition, this reaction should be taken for 21 hours at the temperature of 154-150 °C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(cc1)Nc2ccc(cc2)[N+]([O-])=O
2.InChI: InChI=1/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H
3.InChIKey: MTWHRQTUBOTQTE-UHFFFAOYAM