1-Bromo-4-fluoro-2-nitrobenzene

• CAS: 446-09-3
• Catalog Number: ACM446093
• Category: Bromine Series
• Molecular Weight: 220
• Molecular Formula: C6H3BrFNO2
• Synonyms: Benzene, 1-bromo-4-fluoro-2-nitro-
• IUPAC Name: 1-bromo-4-fluoro-2-nitrobenzene
• SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])Br
• InChI: InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
• InChI Key: XRXNWKIKQFEOGO-UHFFFAOYSA-N
• Boiling Point: 148-150 ºC 35mmHg
• Melting Point: 37-39 ºC
• Density: 1.808±0.06 g/ml

Custom Q&A

What is the molecular formula of 1-Bromo-4-fluoro-2-nitrobenzene?

The molecular formula is C6H3BrFNO2.

What is the molecular weight of 1-Bromo-4-fluoro-2-nitrobenzene?

The molecular weight is 220.00 g/mol.

What is the IUPAC name of 1-Bromo-4-fluoro-2-nitrobenzene?

The IUPAC name is 1-bromo-4-fluoro-2-nitrobenzene.

What is the InChI of 1-Bromo-4-fluoro-2-nitrobenzene?

The InChI is InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H.

What is the InChIKey of 1-Bromo-4-fluoro-2-nitrobenzene?

The InChIKey is XRXNWKIKQFEOGO-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-4-fluoro-2-nitrobenzene?

The canonical SMILES is C1=CC(=C(C=C1F)[N+](=O)[O-])Br.

What is the CAS number of 1-Bromo-4-fluoro-2-nitrobenzene?

The CAS number is 446-09-3.

What is the European Community (EC) number of 1-Bromo-4-fluoro-2-nitrobenzene?

The European Community (EC) number is 207-160-2.

What is the UNII of 1-Bromo-4-fluoro-2-nitrobenzene?

The UNII is Z74RSL9YDY.

Is 1-Bromo-4-fluoro-2-nitrobenzene a canonicalized compound?

Yes, 1-Bromo-4-fluoro-2-nitrobenzene is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 364-78-3

• 446-09-3

Reference: [1]Patent: CN109553534,2019,A .Location in patent: Paragraph 0014; 0016; 0017; 0021; 0023; 0024

Upstream Synthesis Route 2

• 460-00-4

• 446-09-3

Reference: [1]Journal of Organic Chemistry,1963,vol. 28,p. 1759 - 1762

Downstream Synthesis Route 1

• 446-09-3

• 387-43-9

Reference: [1] European Journal of Organic Chemistry, 2006, # 13, p. 2956 - 2969

Downstream Synthesis Route 2

• 446-09-3

• 40311-13-5

Reference: [1] Organic and Biomolecular Chemistry, 2016, vol. 14, # 44, p. 10511 - 10515

Downstream Synthesis Route 3

• 446-09-3

• 394-33-2

Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 3, p. 473 - 476

Downstream Synthesis Route 4

• 446-09-3

• 316-00-7

Reference: [1]Journal of the Chemical Society,1932,p. 509,511

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