402-67-5 | 1-Fluoro-3-nitrobenzene

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$19.00	$13.00
25g	95%	in stock	$27.00	$19.00
100g	95%	in stock	$89.00	$62.00
500g	95%	in stock	$386.00	$270.00

Description

• Catalog Number: AB58344
• Chemical Name: 1-Fluoro-3-nitrobenzene
• CAS Number: 402-67-5
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.0998632
• MDL Number: MFCD00007196
• SMILES: Fc1cccc(c1)[N+](=O)[O-]
• NSC Number: 60651

Computed Properties

• Complexity: 134
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 1.9

Upstream Synthesis Route

1-Fluoro-3-nitrobenzene is a versatile compound that finds application in various chemical synthesis processes. It serves as a key building block in the production of pharmaceuticals, agrochemicals, and advanced materials. With its unique chemical structure, 1-Fluoro-3-nitrobenzene can be used in the synthesis of complex organic molecules through various reactions such as nucleophilic substitution, aromatic nitration, and transition metal-catalyzed transformations. This compound is particularly valuable in the development of new drugs, crop protection agents, and specialty chemicals due to its ability to introduce specific functional groups with precision. Additionally, 1-Fluoro-3-nitrobenzene plays a crucial role in academic research and industrial innovation by enabling the creation of novel compounds with enhanced properties and functionalities.

Literature

• Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120801

• Comment on: 'Comparative vibrational analysis of 1,2-dinitrobenzene and 1-fluoro-3-nitrobenzene' by S Ramalingam, S. Periandy et al. [Spectrochim. Acta A 84 (2011) 86-98].

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

• Comparative vibrational analysis of 1,2-Dinitro benzene and 1-Fluoro-3-nitro benzene: a combined experimental (FT-IR and FT-Raman) and theoretical study (DFT/B3LYP/B3PW91).

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111215

• Imaging beta-galactosidase activity in human tumor xenografts and transgenic mice using a chemiluminescent substrate.

  PloS one 20100101

• Synthesis and antimycobacterial evaluation of certain fluoroquinolone derivatives.

  Bioorganic & medicinal chemistry 20050602