116313-85-0 | 3,4-Dihydroxy-5-nitrobenzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$25.00	$17.00
25g	95%	in stock	$25.00	$18.00
100g	95%	in stock	$31.00	$22.00

Description

• Catalog Number: AA15608
• Chemical Name: 3,4-Dihydroxy-5-nitrobenzaldehyde
• CAS Number: 116313-85-0
• Molecular Formula: C7H5NO5
• Molecular Weight: 183.1183
• MDL Number: MFCD00871897
• SMILES: O=Cc1cc(O)c(c(c1)N(=O)=O)O

Computed Properties

• Complexity: 213
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.1

Upstream Synthesis Route

Benzaldehyde, 3,​4-​dihydroxy-​5-​nitro- is a key component in chemical synthesis, widely utilized for its unique properties and versatile applications. This compound plays a crucial role in the field of organic chemistry, particularly in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals.In chemical synthesis, Benzaldehyde, 3,​4-​dihydroxy-​5-​nitro- serves as a valuable building block due to its functional groups, which allow for selective modifications and reactions. Its aromatic structure and reactive nitro and hydroxyl groups make it a valuable intermediate in the production of complex organic molecules.One prominent application of Benzaldehyde, 3,​4-​dihydroxy-​5-​nitro- is in the synthesis of nitrophenolic compounds, which are utilized in the manufacturing of dyes, pigments, and herbicides. The presence of both hydroxyl and nitro groups in this compound facilitates the formation of various derivatives with diverse properties, making it an essential precursor in the development of specialized chemicals.Furthermore, Benzaldehyde, 3,​4-​dihydroxy-​5-​nitro- is also employed in the synthesis of pharmaceutical intermediates, where its unique structure and reactivity are harnessed to construct biologically active compounds. By incorporating this compound into synthetic routes, chemists can access a wide range of functionalized molecules with potential therapeutic applications.Overall, Benzaldehyde, 3,​4-​dihydroxy-​5-​nitro- plays a crucial role in chemical synthesis, enabling the construction of diverse organic compounds with commercial and industrial significance. Its versatility and reactivity make it a valuable asset in the toolbox of synthetic chemists seeking to create novel materials and compounds for various applications.

Literature

• (E)-Ethyl 2-cyano-3-(3,4-dihydr-oxy-5-nitro-phen-yl)acrylate.

  Acta crystallographica. Section E, Structure reports online 20091001