7149-70-4 | 2-Bromo-5-nitrotoluene

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$14.00	$10.00
100g	98%	in stock	$52.00	$37.00

Description

• Catalog Number: AH13015
• Chemical Name: 2-Bromo-5-nitrotoluene
• CAS Number: 7149-70-4
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.032
• MDL Number: MFCD00007281
• SMILES: [O-][N+](=O)c1ccc(c(c1)C)Br
• NSC Number: 72323

Computed Properties

• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 3.5

Upstream Synthesis Route

1-Bromo-2-methyl-4-nitrobenzene is a versatile compound that finds wide application in organic chemical synthesis. Due to its unique chemical structure, it serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and advanced materials. This compound is often used as a key intermediate in the synthesis of complex organic molecules, where its bromine and nitro functional groups provide opportunities for selective reactions and functional group transformations. Additionally, 1-Bromo-2-methyl-4-nitrobenzene is employed in the preparation of dyes, polymers, and other specialty chemicals, where its presence imparts specific properties and reactivity to the final products. In the field of medicinal chemistry, this compound is utilized for the synthesis of bioactive molecules and drug candidates, taking advantage of its structural features to modulate biological activity and pharmacokinetic properties. Overall, 1-Bromo-2-methyl-4-nitrobenzene plays a crucial role in the advancement of chemical science and the development of innovative materials and compounds.

Literature

• Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part II. Transferability of valence force constants.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101