1886-57-3

Basic information

• Product Name: 1-TERT-BUTYL-2-NITROBENZENE
• Synonyms: Benzene, 1-(1,1-dimethylethyl)-2-nitro-;Benzene,1-(1,1-dimethylethyl)-2-nitro-;1-TERT-BUTYL-2-NITROBENZENE;2-Nitro-tert-butylbenzene;1-TERT-BUTYL-2-NITROBENZENE 97%;1-(1,1-Dimethylethyl)-2-nitrobenzene;1-Nitro-2-tert-butylbenzene;o-Nitro-tert-butylbenzene
• CAS NO: 1886-57-3
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22
• EINECS: 217-554-6
• Mol File: 1886-57-3.mol
• Article Data: 25

Chemical Properties

• Melting Point: 1°C (estimate)
• Boiling Point: 281.75°C (estimate)
• Flash Point: 101.6°C
• Appearance: /
• Density: 1.0699 (estimate)
• Vapor Pressure: 0.025mmHg at 25°C
• Refractive Index: 1.5301 (estimate)
• CAS DataBase Reference: 1-TERT-BUTYL-2-NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TERT-BUTYL-2-NITROBENZENE(1886-57-3)
• EPA Substance Registry System: 1-TERT-BUTYL-2-NITROBENZENE(1886-57-3)

Safety Data

• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 1886-57-3(Hazardous Substances Data)

Usage

General Description

1-TERT-BUTYL-2-NITROBENZENE is a chemical compound with the molecular formula C10H13NO2. It belongs to the class of nitrobenzenes, which are aromatic compounds containing a nitro group attached to a benzene ring. This specific compound is characterized by the presence of a tert-butyl group attached to the benzene ring, which enhances its stability and reactivity. 1-TERT-BUTYL-2-NITROBENZENE is commonly used in the production of dyes, pharmaceuticals, and as a chemical intermediate in organic synthesis. It is also utilized as a solvent and in the manufacturing of fragrance and flavoring agents. 1-TERT-BUTYL-2-NITROBENZENE is known to be hazardous, as it is flammable and may cause irritation to the skin, eyes, and respiratory system upon exposure. Therefore, it should be handled with caution and in accordance with proper safety measures.

InChI:InChI=1/C10H13NO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7H,1-3H3

Upstream product

• 253185-03-4 tert-butylbenzene 
• 31951-12-9 4-tert-butyl-3-nitro-phenylamine 
• 2025-24-3 2-Nitro-3-amino-tert.-butylbenzol 
• 677-22-5 tert-butylmagnesium chloride 
• 98-95-3 nitrobenzene 
• 598-58-3 methyl nitrate 
• 6310-20-9 4-Amino-2-nitro-tert-butylbenzene hydrochloride 
• 7732-18-5 water 
• 7697-37-2 nitric acid 
• 7664-93-9 sulfuric acid 
• 64-19-7 acetic acid 
• 71-43-2 benzene 
• 3282-56-2 4-tert-butylnitrobenzene 
• 4160-54-7 1-tert-butyl-2,4-dinitrobenzene 

Downstream Products

• 6310-21-0 2-(1,1-dimethylethyl)-benzenamine 
• 77117-41-0 N,N'-bis-(2-tert-butyl-phenyl)-hydrazine 
• 32650-41-2 3-(2-Hydroxy-1,1-dimethyl-ethyl)-2-[2-(2-hydroxy-1,1-dimethyl-ethyl)-phenylazo]-phenol 
• 21367-80-6 2,2′-di(tertbutyl)azobenzene 
• 7402-70-2 N-(2-tert-butylphenyl)acetamide 
• 720712-00-5 2-tert-butyl-4-methoxy-phenylamine 
• 182685-72-9 (2-tert-butyl-phenyl)-carbamic acid methyl ester 
• 99858-67-0 N-(2-(tert-butyl)phenyl)formamide 
• 104876-31-5 1-(tert-butyl)-2-isocyanobenzene 
• 75031-45-7 N-Ethyl-2-tert-butylaniline 
• 22025-87-2 o-tert-butyl-N,N-dimethylaniline 
• 59238-67-4 N-(2-(tert-butyl)phenyl)benzamide 
• 62171-59-9 1-(tert-butyl)-2-iodobenzene 
• 36919-89-8 di(tert-butyl)-biphenyl 

Relevant articles and documents

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Regioselective nitration of aromatics with nanomagnetic solid superacid SO42-/ZrO2-MxOy-Fe 3O4 and its theoretical studies

A series of micro- and nanosulfated zirconia loaded on Fe3O 4 or other metal oxides (SO42-/ZrO 2-MxOy-Fe3O4 (M=Ti 4+, V5+, and Zn2+)) was prepared, characterized, and used in nitration. The nitration conditions with these solid superacids were then optimized to achieve the best regioselectivity and improve the performances of the catalysts as well. In the experimental results, SZTF (SO42-/ZrO2-TiO2-Fe 3O4) showed excellent catalytic activity and it increased the surface area of SO42-/ZrO2 by up to 15 %. The increase not only facilitated the generation of NO2+, but also provided more opportunities for metal ions to interact with aromatic compounds. With chlorobenzene as substrate, theoretical research on its geometric parameters, electron clouds, and electron spin density was used to investigate the interaction between transition metals and chlorobenzene.

Reusable and efficient polystryrene-supported acidic ionic liquid catalyst for mononitration of aromatic compounds

A series of polystyrene-supported 1-(propyl-3-sulfonate)-3-methyl- imidazolium hydrosulfate acidic ionic liquid (PS-[SO3H-PMIM][HSO 4]) catalysts were prepared and tested for mononitration of simple aromatics compounds with nitric acid. It was found that the reactivity of the catalysts increased with increasing [SO3HPMIM][ HSO4] content. The para-selectivity was not only related to the [SO 3H-PMIM][HSO4] content but also the substituent groups in aromatics. A reaction mechanism of nitration over this new catalyst was proposed. The catalytic activity of this catalyst decreased slightly after fifth runs in the synthesis of nitrotoluene.