58574-05-3

Basic information

• Product Name: 1-tert-Butyl-3-nitro-4-chlorobenzene
• Synonyms: 4-TERT-BUTYL-1-CHLORO-2-NITROBENZENE;1-TERT-BUTYL-3-NITRO-4-CHLORO BENZENE;P-chloro-m-nitro-t-butylbenzene;5-tert-Butyl-2-chloronitrobenzene;4-CHLORO-3-NITRO-TERT-BUTYLBENZENE;P-Tert-Butyl-2-Nitrochlorobenzene;1-CHLORO-4-(1,1-DIMETHYLETHYL)-2-NITROBENZENE;1-TERT-BUTYL-3-NITRO-4-CHLORO-BENZENE,95%
• CAS NO: 58574-05-3
• Molecular Formula: C₁₀H₁₂ClNO₂
• Molecular Weight: 213.66
• EINECS: 1533716-785-6
• Product Categories: Benzene derivates
• Mol File: 58574-05-3.mol

Chemical Properties

• Boiling Point: 270.462 °C at 760 mmHg
• Flash Point: 117.372 °C
• Appearance: /
• Density: 1.188 g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-tert-Butyl-3-nitro-4-chlorobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-Butyl-3-nitro-4-chlorobenzene(58574-05-3)
• EPA Substance Registry System: 1-tert-Butyl-3-nitro-4-chlorobenzene(58574-05-3)

Safety Data

• Hazardous Substances Data: 58574-05-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-tert-Butyl-3-nitro-4-chlorobenzene is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the formation of complex molecular structures that can exhibit therapeutic properties.
Used in Pesticide Industry:
In the realm of agriculture, 1-tert-Butyl-3-nitro-4-chlorobenzene is employed as an intermediate in the production of pesticides, where it plays a crucial role in the development of compounds designed to protect crops from pests and diseases.
Used in Organic Synthesis:
Beyond its applications in pharmaceuticals and pesticides, 1-tert-Butyl-3-nitro-4-chlorobenzene is also used as an intermediate in the synthesis of other organic compounds, highlighting its versatility in chemical reactions and its potential for creating a wide array of products.

InChI:InChI=1/C10H12ClNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3

Upstream product

• 3972-56-3 4-(tert-butyl)chlorobenzene 
• 103-84-4 Acetanilid 
• 20330-45-4 4-tert-butylacetanilide 
• 6310-19-6 4-tert-butyl-2-nitroaniline 

Downstream Products

• 85020-93-5 4-(tert-butyl)-N-methyl-2-nitroaniline 
• 2213-81-2 2-chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene 
• 5369-19-7 3-tert-butylaniline 
• 67862-60-6 4-(4-tert-butyl-2-nitro-phenyl)-morpholine 
• 69259-67-2 5-tert-butyl-2-morpholin-4-yl-aniline 
• 107618-18-8 4-(2-amino-4-tert-butylanilino)-1-(ethoxycarbonyl)piperidine 
• 107618-11-1 1-(ethoxycarbonyl)-4-(2-nitro-4-tert-butylanilino)piperidine 
• 918445-56-4 5-tert-butyl-2-chlorophenylamine 

Relevant articles and documents

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The invention provides a method for synthesizing a 1,3-dinitrohalobenzene compound. The method comprises the following steps that A) a halogenated benzene compoundand mixed acid of nitric acid and sulfuric acid are subjected to a first nitrification reaction in a first-stage continuous flow microreactor, and oil-water separation is conducted to obtain a mononitrohalobenzene compound and first waste acid; B) the mononitrohalobenzene compound is drained into a second-stage continuous flow microreactor, a second nitrification reaction is conducted with the mixed acid of the nitric acid and the sulfuric acid, a generated nitration mixture is quenched at the outlet of the second-stage continuous flow microreactor, and filtering is conducted to obtain the 1,3-dinitrohalobenzene compound and second waste acid; C) the second waste acid is recycled to the first-stage continuous flow microreactor, a third nitration reaction with the halobenzene compound is carried out, the oil-water separation is conducted to obtain the mononitrohalobenzene compound and third waste acid, and steps B) and C) are repeated; the halobenzene compound has a structure shown in the formula I. The reaction time is short, the waste acid is less, and continuous production is achieved.

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