4771-47-5 | 3-Chloro-2-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$6.00	$4.00
1g	95%	in stock	$7.00	$5.00
5g	95%	in stock	$12.00	$9.00
10g	95%	in stock	$15.00	$11.00
25g	95%	in stock	$28.00	$19.00
100g	95%	in stock	$106.00	$74.00
500g	95%	in stock	$526.00	$368.00

Description

• Catalog Number: AB64657
• Chemical Name: 3-Chloro-2-nitrobenzoic acid
• CAS Number: 4771-47-5
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.5640
• MDL Number: MFCD00007087
• SMILES: [O-][N+](=O)c1c(Cl)cccc1C(=O)O

Computed Properties

• Complexity: 227
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.9

Upstream Synthesis Route

3-Chloro-2-nitrobenzoic acid, also known as 3-chloro-2-nitrobenzoate, is a versatile compound widely used in chemical synthesis. In the field of organic chemistry, this compound serves as a key intermediate in the production of various derivatives and pharmaceuticals. Its unique chemical properties make it a valuable building block for the synthesis of complex organic molecules.One important application of 3-Chloro-2-nitrobenzoic acid is in the synthesis of heterocyclic compounds. By reacting this compound with different reagents, chemists can create a variety of heterocycles such as benzimidazoles, quinazolines, and benzothiazoles. These heterocyclic compounds have diverse applications in drug discovery, material science, and agrochemicals.Furthermore, 3-Chloro-2-nitrobenzoic acid is utilized in the preparation of dyes and pigments. Its chemical structure provides a foundation for the synthesis of vibrant and stable colorants used in textiles, plastics, and coatings. By modifying the functional groups of this compound, chemists can tailor the properties of the resulting dyes to meet specific industrial requirements.Moreover, this compound plays a crucial role in the development of new pharmaceuticals. Through strategic modifications to its molecular structure, researchers can design potent drug candidates with enhanced bioactivity and reduced toxicity. 3-Chloro-2-nitrobenzoic acid serves as a valuable precursor in the synthesis of various pharmaceutical intermediates, paving the way for the discovery of novel therapeutic agents.In summary, 3-Chloro-2-nitrobenzoic acid is a versatile compound with diverse applications in chemical synthesis. Its importance lies in its ability to serve as a crucial building block for the creation of heterocyclic compounds, dyes, pigments, and pharmaceuticals, making it an indispensable tool for chemists in various industries.

Literature

• Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid.

  Acta crystallographica. Section C, Crystal structure communications 20111101

• Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.

  Acta crystallographica. Section C, Crystal structure communications 20091001