6665-98-1

Basic information

• Product Name: 3-Nitrocatechol
• Synonyms: 3-Nitrocatechol;3-Nitro-1,2-benzenediol;1,2-Benzenediol, 3-nitro-
• CAS NO: 6665-98-1
• Molecular Formula: C₆H₅NO₄
• Molecular Weight: 155.11
• Mol File: 6665-98-1.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 278.88°C (rough estimate)
• Flash Point: 123.7°C
• Appearance: /
• Density: 1.5553 (rough estimate)
• Vapor Pressure: 0.00461mmHg at 25°C
• Refractive Index: 1.5423 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: 14.88g/L(20.5 oC)
• CAS DataBase Reference: 3-Nitrocatechol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Nitrocatechol(6665-98-1)
• EPA Substance Registry System: 3-Nitrocatechol(6665-98-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 6665-98-1(Hazardous Substances Data)

Usage

Description

3-Nitrocatechol, also known as 3-Nitrobenzene-1,2-diol, is an organic compound with the chemical formula C6H5NO4. It is characterized by the presence of a nitro group (-NO2) attached to a catechol moiety, which consists of two hydroxyl groups (-OH) attached to a benzene ring. 3-Nitrocatechol exhibits unique chemical and biological properties, making it a versatile molecule for various applications.

Uses

Used in Pharmaceutical Industry:
3-Nitrocatechol is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its ability to act as a possible inhibitor of neuronal nitric oxide synthase (nNOS) makes it a potential candidate for the development of drugs targeting neurological disorders associated with excessive nitric oxide production.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 3-Nitrocatechol is utilized as a key building block for the synthesis of serotonin 5HT1A antagonists. These antagonists are important for the development of drugs that can modulate the serotonin 5HT1A receptor, which plays a crucial role in various physiological processes, including mood regulation, anxiety, and sleep.
Additionally, 3-Nitrocatechol's unique chemical structure and reactivity make it a valuable compound for the synthesis of other bioactive molecules and the exploration of new therapeutic agents. Its potential applications in drug discovery and development highlight the importance of understanding and harnessing the properties of this versatile organic compound.

InChI:InChI=1/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H

Upstream product

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Downstream Products

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• 110683-67-5 methyl 4-nitro-1,3-benzodioxole-2-carboxylate 
• 57356-28-2 5-nitro-2,3-dihydro-1,4-benzodioxin 
• 115464-84-1 6-nitro-3,4-dihydro-2H-benzo<1,4>dioxepin 
• 2271-71-8 (8-nitro-2,3-dihydro-benzo[1,4]dioxin-2-yl)methanol 
• 144-62-7 oxalic acid 
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• 83429-19-0 1,3,6-trinitrodiphenylene dioxide 

Relevant articles and documents

Gas-phase IR cross-sections and single crystal structures data for atmospheric relevant nitrocatechols

The gas-phase IR absorption cross sections for 3-nitrocatechol, 5-methyl-3-nitrocatechol, 4-nitrocatechol and 4-methyl-5-nitrocatechol were evaluated using the ESC-Q-UAIC (the environmental simulation chamber made of quartz from the “Alexandru Ioan Cuza” University of Iasi, Romania) photoreactor facilities. Specific infrared absorptions and integrated band intensities in the range of 650–4000 cm?1 were investigated by long path gas-phase FT-IR technique. Two different addition methods (solid and liquid transfer methods) of nitrocatechols into the reactor were employed in these investigations. All investigated nitrocatechols were synthesized and characterized by X-ray diffraction spectroscopy techniques beside traditional nuclear magnetic resonance (NMR) and infrared (IR) spectroscopy in order to evaluate their structure-properties relationship in gas and solid phase. This study reports for the first time the gas-phase infrared cross sections and the X-ray diffraction analysis for (methyl) nitrocatechols.

Class of large ring heterocyclic compound restraining HCV and manufacturing and uses thereof

The invention relates to a class of compounds that inhibit HCV. The compounds are represented by Formula A. The invention also relates to preparation and pharmaceutical use of the compounds.

2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS

The invention relates to a novel class of 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as a FAK and/or Pyk2 inhibitor, to a process for their preparation, and to a composition thereof, as well as to use of the compounds for the inhibiting FAK and/or Pyk2 and method for the treatment of a FAK and/ or Pyk2 mediated disorder or disease.