601-89-8 | 2-Nitroresorcinol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$12.00	$8.00
5g	98%	in stock	$13.00	$9.00
25g	98%	in stock	$29.00	$21.00
100g	98%	in stock	$93.00	$65.00

Description

• Catalog Number: AB44196
• Chemical Name: 2-Nitroresorcinol
• CAS Number: 601-89-8
• Molecular Formula: C6H5NO4
• Molecular Weight: 155.1082
• MDL Number: MFCD00007124
• SMILES: [O-][N+](=O)c1c(O)cccc1O
• NSC Number: 1542

Computed Properties

• Complexity: 145
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• XLogP3: 1.6

Upstream Synthesis Route

2-Nitrobenzene-1,3-diol, also known as dinitroresorcinol, is a versatile chemical compound that finds widespread application in chemical synthesis processes. As a key building block in organic chemistry, 2-Nitrobenzene-1,3-diol plays a crucial role in the production of various pharmaceuticals, agrochemicals, and specialty chemicals.One of the primary uses of 2-Nitrobenzene-1,3-diol is as a precursor in the synthesis of dyes and pigments. This compound can undergo various chemical reactions to yield vibrant and stable colorants, making it an essential ingredient in the dye industry. Additionally, 2-Nitrobenzene-1,3-diol serves as a valuable intermediate in the production of fine chemicals, such as antioxidants and polymer additives.Furthermore, 2-Nitrobenzene-1,3-diol is utilized in the synthesis of heterocyclic compounds, which are essential in drug discovery and development. By incorporating 2-Nitrobenzene-1,3-diol into complex molecular structures, chemists can access novel chemical entities with potential therapeutic properties. This compound's versatility in forming diverse chemical bonds makes it a valuable tool in medicinal chemistry research.Overall, 2-Nitrobenzene-1,3-diol's significance in chemical synthesis lies in its ability to serve as a key starting material for the production of various functional molecules with applications across industries.

Literature

• Genotoxic mechanisms for the carcinogenicity of the environmental pollutants and carcinogens o-anisidine and 2-nitroanisole follow from adducts generated by their metabolite N-(2-methoxyphenyl)-hydroxylamine with deoxyguanosine in DNA.

  Interdisciplinary toxicology 20090301

• Oxidation of carcinogenic 2-nitroanisole by rat cytochromes P450 - similarity between human and rat enzymes.

  Interdisciplinary toxicology 20080901

• Optical properties of hybrid dendritic-mesoporous titania nanocomposite films.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

• Oxidative detoxication of carcinogenic 2-nitroanisole by human, rat and rabbit cytochrome P450.

  Neuro endocrinology letters 20061201

• Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPR.

  The journal of physical chemistry. A 20050113

• Enzymes involved in the metabolism of the carcinogen 2-nitroanisole: evidence for its oxidative detoxication by human cytochromes P450.

  Chemical research in toxicology 20040501