116529-61-4 | 3-Bromo-2-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$21.00	$15.00
250mg	95%	in stock	$28.00	$19.00
1g	95%	in stock	$55.00	$38.00
5g	95%	in stock	$191.00	$134.00

Description

• Catalog Number: AA16271
• Chemical Name: 3-Bromo-2-nitrobenzoic acid
• CAS Number: 116529-61-4
• Molecular Formula: C7H4BrNO4
• Molecular Weight: 246.015
• MDL Number: MFCD10700064
• SMILES: [O-][N+](=O)c1c(Br)cccc1C(=O)O
• NSC Number: 108607

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

3-Bromo-2-nitrobenzoic acid, a key intermediate in organic chemistry, is widely utilized in chemical synthesis due to its unique properties and versatile applications. One of the primary roles of 3-Bromo-2-nitrobenzoic acid is its use as a building block in the synthesis of various pharmaceutical compounds and agrochemicals. Its functional groups make it a valuable precursor for the development of new molecules with biological activity.In addition to its importance in pharmaceutical chemistry, 3-Bromo-2-nitrobenzoic acid is also employed in the preparation of advanced materials such as liquid crystals and polymers. Its structural characteristics enable it to participate in diverse reactions, including Suzuki coupling, Heck reactions, and nucleophilic substitution, allowing for the creation of complex structures with tailored properties.Furthermore, 3-Bromo-2-nitrobenzoic acid serves as a valuable tool in academic research, enabling chemists to explore new synthetic methodologies and investigate reaction mechanisms. Its presence in the chemical toolbox supports the advancement of synthetic organic chemistry and contributes to the discovery of novel molecules with potential applications in various fields.Overall, the versatile nature of 3-Bromo-2-nitrobenzoic acid makes it an indispensable component in chemical synthesis, offering opportunities for the development of innovative products and the expansion of scientific knowledge.