4-Methylsulfonyl-2-nitrofluorobenzene

• CAS: 453-72-5
• Catalog Number: ACM453725
• Category: Other Products
• Molecular Weight: 219.19
• Molecular Formula: C₇H₆NO₄FS
• Synonyms: NSC226257, ZINC00153767, 2-Fluoro-5-methyl sulfonyl nitrobenzene, ST5307624, TL8006885, T5365016, 453-72-5
• IUPAC Name: 1-fluoro-4-methylsulfonyl-2-nitrobenzene
• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N
• Boiling Point: 76ºC at 760mmHg
• Melting Point: 152-158ºC
• Flash Point: 1.1ºC
• Density: 1.135g/cm³
• Appearance: white to light yellow-green crystalline powder
• Exact Mass: 219.00000
• Hazard Statements: Xn: Harmful;Xi: Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Safety Description: 37/39-26

Synthetic Use

Upstream Synthesis Route 1

• 455-15-2

• 453-72-5

Reference: [1]Patent: WO2008/84300,2008,A1 .Location in patent: Page/Page column 90

Downstream Synthesis Route 1

• 453-72-5
• 107-91-5

• 110964-79-9

Reference: [1] Patent: CN105712912, 2016, A, . Location in patent: Paragraph 0004; 0053; 0054

Downstream Synthesis Route 2

• 453-72-5

• 104206-82-8

Reference: [1] Patent: CN105712912, 2016, A,

Downstream Synthesis Route 3

• 97-10-9
• 453-72-5

• 100621-00-9

Reference: [1]Chemija,1958,p. 122
Chem.Abstr.,1959,p. 3110

Downstream Synthesis Route 4

• 453-72-5

• 97-10-9

Reference: [1]Chemija,1958,p. 122
Chem.Abstr.,1959,p. 3110
[2]Bulletin de la Societe Chimique de France,1959,p. 1553,1554
[3]Chemija,1958,p. 122
Chem.Abstr.,1959,p. 3110

* For details of the synthesis route, please refer to the original source to ensure accuracy.