3-Chloro-4-fluorobenzaldehyde

• CAS: 34328-61-5
• Catalog Number: ACM34328615
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 158.56
• Molecular Formula: C7H4ClFO
• Synonyms: Benzaldehyde, 3-chloro-4-fluoro-
• IUPAC Name: 3-chloro-4-fluorobenzaldehyde
• Canonical SMILES: C1=CC(=C(C=C1C=O)Cl)F
• InChI: InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
• InChI Key: GVORVQPNNSASDM-UHFFFAOYSA-N
• Boiling Point: 66 ºC
• Melting Point: 28-30 ºC (lit.)
• Density: 1.331 g/ml
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Chloro-4-fluorobenzaldehyde?

The molecular formula of 3-Chloro-4-fluorobenzaldehyde is C7H4ClFO.

What is the molecular weight of 3-Chloro-4-fluorobenzaldehyde?

The molecular weight of 3-Chloro-4-fluorobenzaldehyde is 158.56 g/mol.

What is the IUPAC Name of 3-Chloro-4-fluorobenzaldehyde?

The IUPAC Name of 3-Chloro-4-fluorobenzaldehyde is 3-chloro-4-fluorobenzaldehyde.

What is the InChI key of 3-Chloro-4-fluorobenzaldehyde?

The InChI key of 3-Chloro-4-fluorobenzaldehyde is GVORVQPNNSASDM-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Chloro-4-fluorobenzaldehyde?

The Canonical SMILES of 3-Chloro-4-fluorobenzaldehyde is C1=CC(=C(C=C1C=O)Cl)F.

What is the CAS number of 3-Chloro-4-fluorobenzaldehyde?

The CAS number of 3-Chloro-4-fluorobenzaldehyde is 34328-61-5.

What is the XLogP3 value of 3-Chloro-4-fluorobenzaldehyde?

The XLogP3 value of 3-Chloro-4-fluorobenzaldehyde is 2.2.

How many hydrogen bond donor counts does 3-Chloro-4-fluorobenzaldehyde have?

3-Chloro-4-fluorobenzaldehyde has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Chloro-4-fluorobenzaldehyde have?

3-Chloro-4-fluorobenzaldehyde has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Chloro-4-fluorobenzaldehyde?

The topological polar surface area of 3-Chloro-4-fluorobenzaldehyde is 17.1 ?2.

Synthetic Use

Upstream Synthesis Route 1

• 6287-38-3

• 34328-61-5

Reference: [1]Chemistry Letters,1988,p. 1355 - 1358
[2]Patent: US4845304,1989,A
[3]Journal of Fluorine Chemistry,1990,vol. 46,p. 529 - 537

Downstream Synthesis Route 1

• 141-82-2
• 34328-61-5

• 155814-22-5

Reference: [1] Tetrahedron, 2016, vol. 72, # 46, p. 7256 - 7262
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 3, p. 409 - 416

Downstream Synthesis Route 2

• 34328-61-5

• 192702-01-5

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 24, p. 6842 - 6846
[2] Chemical Biology and Drug Design, 2016, p. 97 - 109

Downstream Synthesis Route 3

• 34328-61-5

• 117482-84-5

Reference: [1] Chinese Chemical Letters, 2010, vol. 21, # 9, p. 1025 - 1028
[2] Synthetic Communications, 2010, vol. 40, # 22, p. 3384 - 3389

Downstream Synthesis Route 4

• 141-82-2
• 34328-61-5

• 155814-22-5

Reference: [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 1202 - 1210

Downstream Synthesis Route 5

• 34328-61-5
• 18113-03-6

• 698356-82-0

Reference: [1]Journal of Medicinal Chemistry,2001,vol. 44,p. 4393 - 4403

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