Cas no 3807-81-6 (5-Nitro-1,2,3-benzenetricarboxylic acid)

5-Nitro-1,2,3-benzenetricarboxylic acid is a nitrated aromatic tricarboxylic acid derivative with applications in organic synthesis and coordination chemistry. Its structure features three carboxyl groups and a nitro substituent, enabling versatile reactivity as a building block for complex molecules or metal-organic frameworks (MOFs). The electron-withdrawing nitro group enhances electrophilic properties, facilitating further functionalization, while the carboxyl groups provide multiple sites for esterification, amidation, or chelation. This compound is particularly useful in designing ligands for catalysis or materials science due to its rigid aromatic core and polyfunctionality. It is typically handled under controlled conditions due to potential sensitivity to heat or friction.
5-Nitro-1,2,3-benzenetricarboxylic acid structure
3807-81-6 structure
Product Name:5-Nitro-1,2,3-benzenetricarboxylic acid
CAS No:3807-81-6
MF:C9H5NO8
MW:255.137902975082
MDL:MFCD03839939
CID:44507
PubChem ID:14434859
Update Time:2025-06-11

5-Nitro-1,2,3-benzenetricarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Nitrobenzene-1,2,3-tricarboxylic acid
    • 1-Nitrobenzene-3,4,5-tricarboxylic acid
    • 5-Nitro-1,2,3-benzenetricarboxylic acid
    • 5-NITRO-1,2,3-NITROACETOPHENONE
    • 5-nitro-1,2,3-benzenetricarboxylate
    • 5-nitro-benzene-1,2,3-tricarboxylic acid
    • 5-Nitro-benzol-1,2,3-tricarbonsaeure
    • 5-Nitro-1,2,3-benzenetricarboxylicacid
    • 1,2,3-Benzenetricarboxylic acid, 5-nitro-
    • C9H5NO8
    • KIRNHRJGEAFKPM-UHFFFAOYSA-N
    • VZ35671
    • AB16337
    • TRA0049515
    • RP29094
    • SY017575
    • OR350301
    • Q805
    • 1,2,3-Benzenetri
    • AC-12653
    • CS-W003120
    • 5-nitrobenzene-1,2,3-tricarboxylic acid;5-NITRO-1,2,3-BENZENETRICARBOXYLIC ACID
    • 3807-81-6
    • DS-0930
    • 5-Nitrobenzene-1 pound not2 pound not3-tricarboxylic acid
    • FT-0651734
    • SCHEMBL11317378
    • MFCD03839939
    • 5-nitrobenzene-1,2,3-tricarboxylicacid
    • AKOS015889432
    • A13274
    • J-517850
    • DTXSID70560222
    • MDL: MFCD03839939
    • Inchi: 1S/C9H5NO8/c11-7(12)4-1-3(10(17)18)2-5(8(13)14)6(4)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)
    • InChI Key: KIRNHRJGEAFKPM-UHFFFAOYSA-N
    • SMILES: OC(C1C(C(=O)O)=CC(=CC=1C(=O)O)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 255.00200
  • Monoisotopic Mass: 255.00151612g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 376
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 158
  • XLogP3: 0.3

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Boiling Point: 546.4℃ at 760 mmHg
  • Flash Point: 240.4℃
  • PSA: 157.72000
  • LogP: 1.21260

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5-Nitro-1,2,3-benzenetricarboxylic acid Production Method

5-Nitro-1,2,3-benzenetricarboxylic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:3807-81-6)5-Nitro-1,2,3-benzenetricarboxylic acid
Order Number:sfd15744
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 5-Nitro-1,2,3-benzenetricarboxylic acid

Introduction to 5-Nitro-1,2,3-benzenetricarboxylic Acid (CAS No. 3807-81-6)

5-Nitro-1,2,3-benzenetricarboxylic acid (CAS No. 3807-81-6) is a multifunctional organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including materials science, pharmaceuticals, and environmental chemistry. This compound is characterized by its aromatic ring system substituted with three carboxylic acid groups and a nitro group at the 5-position. The combination of these functional groups imparts a range of interesting properties that make it a valuable intermediate in the synthesis of more complex molecules.

The molecular formula of 5-Nitro-1,2,3-benzenetricarboxylic acid is C9H5N2O9, and its molecular weight is approximately 263.14 g/mol. The compound is a white to off-white solid at room temperature and is soluble in polar solvents such as water and methanol. Its high solubility in polar media makes it an attractive candidate for various chemical reactions and processes.

In the field of materials science, 5-Nitro-1,2,3-benzenetricarboxylic acid has been explored as a building block for the synthesis of metal-organic frameworks (MOFs). MOFs are highly porous materials with large surface areas that have found applications in gas storage, catalysis, and drug delivery. Recent studies have shown that the carboxylic acid groups in this compound can coordinate with metal ions to form stable MOF structures with tunable properties. For example, a study published in the Journal of Materials Chemistry A demonstrated that 5-Nitro-1,2,3-benzenetricarboxylic acid-based MOFs exhibit excellent gas adsorption capacities and can be used for the selective capture of CO2 from flue gases.

In the pharmaceutical industry, 5-Nitro-1,2,3-benzenetricarboxylic acid has been investigated as a potential precursor for the synthesis of novel drugs. The nitro group in this compound can be reduced to an amino group under appropriate conditions, which can then be further functionalized to introduce various pharmacophores. This versatility makes it a valuable starting material for the development of new therapeutic agents. A recent study published in the Journal of Medicinal Chemistry reported the synthesis of a series of derivatives from 5-Nitro-1,2,3-benzenetricarboxylic acid, which showed promising antitumor activities against several cancer cell lines.

The environmental applications of 5-Nitro-1,2,3-benzenetricarboxylic acid are also noteworthy. Due to its high reactivity and functional group diversity, this compound can be used as a reagent in wastewater treatment processes. Specifically, it can participate in redox reactions that help remove harmful pollutants from water. A study published in Environmental Science & Technology demonstrated that 5-Nitro-1,2,3-benzenetricarboxylic acid-based reagents effectively degrade organic contaminants such as dyes and pharmaceuticals in aqueous solutions.

The synthesis of 5-Nitro-1,2,3-benzenetricarboxylic acid typically involves multi-step processes that include nitration and carboxylation reactions. One common method involves the nitration of 1,2,3-benzenetricarboxylic acid (benzene-1,2,3-tricarboxylic acid) using a mixture of nitric and sulfuric acids. The resulting product is then purified through recrystallization or other separation techniques to obtain high-purity material. Advances in green chemistry have led to the development of more environmentally friendly synthetic routes that minimize waste generation and energy consumption.

The safety profile of 5-Nitro-1,2,3-benzenetricarboxylic acid is an important consideration for its industrial and laboratory use. While it is not classified as a hazardous substance under current regulations, proper handling precautions should be taken to avoid exposure to skin or inhalation of dust particles. It is recommended to store this compound in a cool, dry place away from incompatible materials such as strong oxidizers or reducing agents.

In conclusion, 5-Nitro-1,2,3-benzenetricarboxylic acid (CAS No. 3807-81-6) is a versatile organic compound with a wide range of applications in materials science, pharmaceuticals, and environmental chemistry. Its unique chemical structure and functional group diversity make it an attractive intermediate for the synthesis of more complex molecules with valuable properties. Ongoing research continues to uncover new uses for this compound, further highlighting its importance in modern chemistry.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:3807-81-6)5-Nitro-1,2,3-benzenetricarboxylic acid
sfd15744
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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