99-60-5 | 2-Chloro-4-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$8.00	$5.00
100g	98%	in stock	$23.00	$16.00
500g	98%	in stock	$86.00	$60.00

Description

• Catalog Number: AB61718
• Chemical Name: 2-Chloro-4-nitrobenzoic acid
• CAS Number: 99-60-5
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.564
• MDL Number: MFCD00007209
• SMILES: OC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
• NSC Number: 150

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-4-nitrobenzoic acid is a vital component in chemical synthesis processes, serving as a versatile building block in the creation of various advanced materials. Its unique structure and reactivity make it an essential ingredient in the production of pharmaceuticals, agrochemicals, and specialty chemicals. With its ability to undergo diverse chemical reactions, 2-Chloro-4-nitrobenzoic acid is commonly utilized in the synthesis of complex organic molecules, offering chemists a valuable tool to manipulate and modify molecular structures with precision. Its applications extend to the fields of medicinal chemistry, materials science, and organic synthesis, highlighting its significance in modern chemical research and development.

Literature

• 3-Bromo-pyridin-2-amine.

  Acta crystallographica. Section E, Structure reports online 20120201

• Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise.

  BMC microbiology 20120101

• Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800.

  PloS one 20120101

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

  Acta crystallographica. Section E, Structure reports online 20111201

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

  Acta crystallographica. Section E, Structure reports online 20111101

• (4-Chloro-3-nitro-benzoato)triphenyl-tin(IV).

  Acta crystallographica. Section E, Structure reports online 20110901

• (2-Chloro-4-nitro-benzoato)(methanol)triphenyl-tin(IV).

  Acta crystallographica. Section E, Structure reports online 20110501

• Photoswitching of site-selective RNA scission by sequential incorporation of azobenzene and acridine residues in a DNA oligomer.

  Journal of nucleic acids 20110101

• Synthesis, characterization, and molecular modeling of a pharmaceutical co-crystal: (2-chloro-4-nitrobenzoic acid):(nicotinamide).

  Journal of pharmaceutical sciences 20100901

• Tetra-kis(μ-2-chloro-4-nitro-benzoato-κO:O')bis-[aqua-copper(II)].

  Acta crystallographica. Section E, Structure reports online 20090101

• 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