2516-96-3 | Benzoic acid, 2-chloro-5-nitro-

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$5.00	$4.00
500g	98%	in stock	$54.00	$38.00

Description

• Catalog Number: AB27710
• Chemical Name: Benzoic acid, 2-chloro-5-nitro-
• CAS Number: 2516-96-3
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.564
• MDL Number: MFCD00007294
• SMILES: [O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl
• NSC Number: 8441

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: 2

Upstream Synthesis Route

2-Chloro-5-nitrobenzoic acid is a versatile compound widely utilized in chemical synthesis processes. As a key building block in organic chemistry, this compound serves as a crucial intermediate for the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. Due to its unique chemical structure, 2-Chloro-5-nitrobenzoic acid enables chemists to introduce specific functional groups and modifications, enhancing the properties and performance of the final products. Its reactivity and compatibility with a range of other compounds make it an essential component in the production of complex molecular structures. In chemical synthesis, 2-Chloro-5-nitrobenzoic acid plays a fundamental role in facilitating diverse reactions and pathways, enabling the creation of innovative and valuable compounds with applications across multiple industries.

Literature

• 4-Chloro-2-nitro-benzoic acid-pyrazine (2/1).

  Acta crystallographica. Section E, Structure reports online 20111201

• Octa-butyl-bis-(μ(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-μ(3)-oxido-tetra-tin(IV).

  Acta crystallographica. Section E, Structure reports online 20101201

• Decarboxylative homocoupling of (hetero)aromatic carboxylic acids.

  Chemical communications (Cambridge, England) 20101121

• 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

• Catalyst-free microwave-assisted amination of 2-chloro-5-nitrobenzoic acid.

  The Journal of organic chemistry 20070720

• Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine.

  Acta crystallographica. Section C, Crystal structure communications 20020401

• Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate.

  Acta crystallographica. Section C, Crystal structure communications 20011201

• 2:1 complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine.

  Acta crystallographica. Section C, Crystal structure communications 20010701