5042-55-7

Basic information

• Product Name: 3,5-DIAMINONITROBENZENE
• Synonyms: 1,3-Benzenediamine, 5-nitro-;1,3-benzenediamine,5-nitro-;1,3-Diamino-5-nitrobenzene;1-Nitro-3,5-diaminobenzene;5-nitro-1,3-benzenediamine;5-nitro-3-benzenediamine;5-nitro-m-phenylenediamin;m-Phenylenediamine, 5-nitro-
• CAS NO: 5042-55-7
• Molecular Formula: C₆H₇N₃O₂
• Molecular Weight: 153.14
• EINECS: 225-737-7
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds
• Mol File: 5042-55-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 159 °C
• Boiling Point: 427°Cat760mmHg
• Flash Point: 212.1°C
• Appearance: /
• Density: 1.446g/cm³
• Vapor Pressure: 1.69E-07mmHg at 25°C
• Refractive Index: 1.708
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 3.03±0.10(Predicted)
• CAS DataBase Reference: 3,5-DIAMINONITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIAMINONITROBENZENE(5042-55-7)
• EPA Substance Registry System: 3,5-DIAMINONITROBENZENE(5042-55-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 5042-55-7(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Medicinal Chemistry, 19, p. 426, 1976 DOI: 10.1021/jm00225a019

InChI:InChI=1/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2

Upstream product

• 99-35-4 1,3,5-trinitrobenzene 
• 618-87-1 3, 5-dinitroaniline 
• 99-34-3 3,5-dinitrobenzoic acid 

Downstream Products

• 41148-68-9 5-nitro-phenanthroline 
• 116193-69-2 3,5-bis(2-tert-butoxyacetamido)nitrobenzene 
• 65797-46-8 3,5-bis-propionamidonitrobenzene 
• 17178-95-9 N-(3-acetylamino-5-nitrophenyl)acetamide 
• 130548-53-7 (Z)-N,N'-<5-<<1-(5-acetyl-4-hydroxy-2,6-dioxo-2H-pyran-3(6H)-ylidene)ethyl>amino>-1,3-phenylene>bis<2(S),3-dihydroxypropanamide> 
• 130548-55-9 (Z)-N,N'-<5-<<1-(5-acetyl-4-hydroxy-2,6-dioxo-2H-pyran-3(6H)-ylidene)ethyl>amino>-1,3-phenylene>bis<2(R,S'),3-dihydroxypropanamide> 
• 130437-00-2 (S,S)-N,N'-(5-nitro-1,3-phenylene)bis(2,3-dihydroxypropanamide) 
• 130437-02-4 (S)-N-[3-Amino-5-((S)-2,3-dihydroxy-propionylamino)-phenyl]-2,3-dihydroxy-propionamide 
• 68981-31-7 (R)-N-[3-Amino-5-((S)-2,3-dihydroxy-propionylamino)-phenyl]-2,3-dihydroxy-propionamide 
• 130437-05-7 (Z)-N,N'-(5-{[1-(5-acetyl-4-hydroxy-2,6-dioxo-2H-pyran-3(6H)-ylidene)ethyl]amino}-1,3-phenylene)bis(2-hydroxyacetamide) 
• 116193-70-5 3,5-bis(2-hydroxyacetamido)nitrobenzene 
• 116193-71-6 N-[3-Amino-5-(2-hydroxy-acetylamino)-phenyl]-2-hydroxy-acetamide 
• 65797-43-5 3,5-bis-methylsulfonamidoaniline 
• 173282-41-2 2,4,6-Tribromo-5-nitro-benzene-1,3-diamine 

Relevant articles and documents

Selective reduction of one, two, or three nitro groups in 1,3,5-trinitrobenzene with hydrazine hydrate

A method was developed for successive selective reduction of one, two, or three nitro groups in 1,3,5-trinitrobenzene with hydrazine hydrate in the presence of iron chloride and charcoal. This method provides an approach to the one-pot synthesis of 3,5-dinitroaniline, 1,3-diamino-5-nitrobenzene, or 1,3,5-triaminobenzene from 1,3,5-trinitrobenzene. Springer Science+Business Media, Inc. 2006.

Catalytic transfer hydrogenation of nitro and carbonyl compounds over novel Fe(III) substituted hexagonal mesoporous aluminophosphates

Catalytic transfer hydrogenation (CTH) of aromatic nitro and carbonyl compounds over novel Fe(III) substituted hexagonal mesoporous aluminophosphate (FeHMA) molecular sieve catalyst showed excellent regioselectivity/chemoselectivity as well as superior recycling capability. Furthermore, the reduction occurs without affecting other functional groups such as -CN, -CHO, -Cl,-CH3,-OCH3 and -NH2.

The Kinetics of the Reactions of Picryl Chloride with Some Substituted Anilines. Part 5.

Arrhenius parameters have been measured for the reactions of picryl chloride with the following substituted anilines in acetonitrile: 3-amino- and 3-methyl-aniline, 3-amino-5-nitroaniline, 3-fluoro-5-methylsulphonylaniline, 3-X-5-methylanilines (X=NO2, OMe, CH3, F, Cl, Br, or I) and 3,5-X2-anilines (X = F, Cl, Br, or I).A total of 33 3,5-disubstituted anilines have now been examined for the additivity of substituent effects on the free energy of activation, and it has been shown that with the exception of 3-amino-5-nitroaniline this hypothesis reproduces experimental rate constants within a factor of 2.A rationalization is proposed for the deviations that occur in some cases when more stringent criteria of additivity are used.