1-Bromo-2,4-difluoro-5-nitrobenzene

• CAS: 345-24-4
• Catalog Number: ACM345244
• Category: Other Products
• Molecular Weight: 237.99
• Molecular Formula: C₆H₂BrF₂NO₂
• Synonyms: NSC10238, ZINC00170148, 7X-0836, 345-24-4
• IUPAC Name: 1-bromo-2,4-difluoro-5-nitrobenzene
• Canonical SMILES: C1=C(C(=CC(=C1Br)F)F)[N+](=O)[O-]
• InChI Key: OOUUWURPSUSDTD-UHFFFAOYSA-N
• Boiling Point: 85ºC 0,4mm, 252.4ºC at 760 mmHg
• Flash Point: 106.5ºC
• Density: 1.89 g/cm³
• Exact Mass: 236.92400
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Synthetic Use

Upstream Synthesis Route 1

• 348-57-2

• 345-24-4

Reference: [1] Synthesis, 1998, # 8, p. 1101 - 1103

Upstream Synthesis Route 2

• 446-35-5

• 345-24-4

Reference: [1] Journal of the Chemical Society - Perkin Transactions 1, 1996, # 14, p. 1659 - 1664
[2] Patent: US5734073, 1998, A,

Upstream Synthesis Route 3

• 348-57-2

• 345-24-4

Reference: [1]Synthesis,1998,p. 1101 - 1103

Downstream Synthesis Route 1

• 345-24-4

• 452-92-6

Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 16, p. 3870 - 3882
[2] Patent: WO2004/5257, 2004, A1, . Location in patent: Page 67-68
[3] Journal of the American Chemical Society, 1956, vol. 78, p. 2593,2596

Downstream Synthesis Route 2

• 345-24-4

• 762298-01-1

Reference: [1]Journal of Organic Chemistry,1995,vol. 60,p. 5838 - 5842

Downstream Synthesis Route 3

• 345-24-4

• 762298-05-5

Reference: [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 4367 - 4379

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