103797-19-9

Basic information

• Product Name: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID
• Synonyms: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID
• CAS NO: 103797-19-9
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• Mol File: 103797-19-9.mol

Chemical Properties

• Melting Point: 138-143 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• Boiling Point: 338.8 °C at 760 mmHg
• Flash Point: 142.7 °C
• Appearance: /
• Density: 1.236 g/cm³
• Vapor Pressure: 3.72E-05mmHg at 25°C
• Refractive Index: 1.557
• PKA: 2.39±0.25(Predicted)
• CAS DataBase Reference: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID(103797-19-9)
• EPA Substance Registry System: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID(103797-19-9)

Safety Data

• Hazardous Substances Data: 103797-19-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-Tert-butyl-2-nitro-benzoic acid is used as a key intermediate in the synthesis of various chemical compounds due to its unique structural features. Its reactivity, influenced by the electron-withdrawing nitro group and the steric hindrance provided by the tert-butyl group, makes it a valuable building block for creating dyes, polymers, and pharmaceuticals.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 4-Tert-butyl-2-nitro-benzoic acid is utilized as a precursor for the development of new drugs. Its chemical properties allow for the creation of molecules with specific therapeutic effects, contributing to the advancement of medicinal chemistry.
Used in Dye and Pigment Industry:
4-Tert-butyl-2-nitro-benzoic acid is employed as a starting material for the production of dyes and pigments. Its ability to undergo various chemical reactions enables the synthesis of a wide array of colorants used in different industries, such as textiles, plastics, and printing inks.
Used in Polymer Industry:
4-Tert-butyl-2-nitro-benzoic acid is also used in the polymer industry as a monomer or a building block for the synthesis of polymers with specific properties. The incorporation of 4-Tert-butyl-2-nitro-benzoic acid into polymer structures can result in materials with tailored characteristics, such as improved thermal stability or enhanced mechanical properties.
Safety Considerations:
Given its potential to be irritative to skin and eyes, and harmful if inhaled or swallowed, 4-Tert-butyl-2-nitro-benzoic acid requires careful handling and appropriate safety measures. These may include the use of personal protective equipment, proper ventilation, and adherence to material safety data sheets to minimize risks during its production, storage, and use.

InChI:InChI=1/C11H13NO4/c1-11(2,3)7-4-5-8(10(13)14)9(6-7)12(15)16/h4-6H,1-3H3,(H,13,14)

Upstream product

• 62559-08-4 4-tert-butyl-2-nitrotoluene 
• 98-51-1 4-tert-butyltoluene 
• 1147530-71-9 (4-tert-butyl-2-nitrophenylethynyl)trimethylsilane 
• 1147530-72-0 4-tert-butyl-1-ethynyl-2-nitrobenzene 
• 19692-45-6 4-tert-butylbenzyl chloride 

Downstream Products

• 728945-64-0 2-amino-4-(tert-butyl)benzoic acid 
• 104296-43-7 4-tert-butyl-2,5-dinitro-benzoic acid 

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