3-Bromo-2-fluorobenzaldehyde

• CAS: 149947-15-9
• Catalog Number: ACM149947159
• Category: Bromine Series
• Molecular Weight: 203.008463 [g/mol]
• Molecular Formula: C₇H₄BrFO
• Synonyms: 3-Bromo-2-fluorobenzaldehyde, 149947-15-9, 3-Bromo-2-fluorobenzenecarbaldehyde, ACMC-209d3i, 3-Bromo-2-fluorobenzadehyde, 2-Fluoro-3-bromobenzaldehyde, 3-Bromo-2-fluorobenzaldehyde,, 3-Bromo-2-fluorobenzaldehyde;, Benzaldehyde,3-bromo-2-fluoro-, CTK4C6439, MolPort-001-777-409, 3-bromanyl-2-fluoranyl-benzaldehyde, ANW-21244, SBB093036, ZINC08729790, AKOS005071613, AA-0926, AG-D-96397, LS11298, QC-7599
• IUPAC Name: 3-bromo-2-fluorobenzaldehyde
• SMILES: C1=CC(=C(C(=C1)Br)F)C=O
• InChI Key: OUAZPCKRSSEQKB-UHFFFAOYSA-N
• Boiling Point: 337.5ºC at 760mmHg
• Melting Point: 43-46ºC
• Flash Point: 157.9ºC
• Density: 1.685g/cm³
• Exact Mass: 201.94300
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 3-Bromo-2-fluorobenzaldehyde?

The molecular formula of 3-Bromo-2-fluorobenzaldehyde is C7H4BrFO.

What is the molecular weight of 3-Bromo-2-fluorobenzaldehyde?

The molecular weight of 3-Bromo-2-fluorobenzaldehyde is 203.01 g/mol.

What is the IUPAC name of 3-Bromo-2-fluorobenzaldehyde?

The IUPAC name of 3-Bromo-2-fluorobenzaldehyde is 3-bromo-2-fluorobenzaldehyde.

What is the InChI of 3-Bromo-2-fluorobenzaldehyde?

The InChI of 3-Bromo-2-fluorobenzaldehyde is InChI=1S/C7H4BrFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H.

What is the InChIKey of 3-Bromo-2-fluorobenzaldehyde?

The InChIKey of 3-Bromo-2-fluorobenzaldehyde is OUAZPCKRSSEQKB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-2-fluorobenzaldehyde?

The canonical SMILES of 3-bromo-2-fluorobenzaldehyde is C1=CC(=C(C(=C1)Br)F)C=O.

What is the CAS number of 3-Bromo-2-fluorobenzaldehyde?

The CAS number of 3-Bromo-2-fluorobenzaldehyde is 149947-15-9.

What is the EC number of 3-Bromo-2-fluorobenzaldehyde?

The EC number of 3-Bromo-2-fluorobenzaldehyde is 687-163-7.

Is 3-Bromo-2-fluorobenzaldehyde a canonicalized compound?

Yes, 3-Bromo-2-fluorobenzaldehyde is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 261723-32-4

• 149947-15-9

Reference: [1] Patent: WO2015/52226, 2015, A1, . Location in patent: Paragraph 0379

Upstream Synthesis Route 2

• 149947-16-0

• 149947-15-9

Reference: [1]Patent: US5489592,1996,A

Upstream Synthesis Route 3

• 261723-32-4

• 149947-15-9

Reference: [1]Patent: WO2015/52226,2015,A1 .Location in patent: Paragraph 0379

Downstream Synthesis Route 1

• 149947-15-9

• 1423-61-6

Reference: [1] European Journal of Medicinal Chemistry, 2017, vol. 125, p. 538 - 550

Downstream Synthesis Route 2

• 149947-15-9
• 593-56-6

• 53857-58-2

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 19, p. 4143 - 4147

Downstream Synthesis Route 3

• 149947-15-9
• 2365-48-2

• 19075-59-3
• 550998-53-3

Reference: [1]Patent: WO2004/13136,2004,A1 .Location in patent: Page/Page column 37

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