4-Chloro-3-fluorobenzaldehyde

• CAS: 5527-95-7
• Catalog Number: ACM5527957
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 158.56
• Molecular Formula: C7H4ClFO
• Synonyms: Fluoro-4-chlorobenzaldehyde
• IUPAC Name: 4-chloro-3-fluorobenzaldehyde
• Canonical SMILES: C1=CC(=C(C=C1C=O)F)Cl
• InChI: InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
• InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N
• Boiling Point: 201.5 ºC
• Melting Point: 46-49 ºC (lit.)
• Density: 1.331 g/ml
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

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

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

When was 4-Chloro-3-fluorobenzaldehyde created and last modified?

4-Chloro-3-fluorobenzaldehyde was created on July 19, 2005, and last modified on December 23, 2023.

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

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

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

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

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

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

What is the InChIKey of 4-Chloro-3-fluorobenzaldehyde?

The InChIKey of 4-Chloro-3-fluorobenzaldehyde is AZMDWRPTDCIFRD-UHFFFAOYSA-N.

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

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

What is the exact mass of 4-Chloro-3-fluorobenzaldehyde?

The exact mass of 4-Chloro-3-fluorobenzaldehyde is 157.9934706 g/mol.

Is 4-Chloro-3-fluorobenzaldehyde a canonicalized compound?

Yes, 4-Chloro-3-fluorobenzaldehyde is a canonicalized compound.

How many heavy atoms does 4-Chloro-3-fluorobenzaldehyde contain?

4-Chloro-3-fluorobenzaldehyde contains 10 heavy atoms.

Synthetic Use

Downstream Synthesis Route 1

• 7758-19-2
• 5329-14-6
• 5527-95-7
• 75-65-0

• 403-17-8

Reference: [1] Patent: US2005/20645, 2005, A1,

Downstream Synthesis Route 2

• 5527-95-7

• 403-17-8

Reference: [1] Patent: EP1405852, 2004, A1, . Location in patent: Page 233

Downstream Synthesis Route 3

• 5527-95-7

• 1453848-26-4

Reference: [1] Patent: WO2013/130976, 2013, A1,

Downstream Synthesis Route 4

• 917-54-4
• 5527-95-7

• 339001-14-8

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1795 - 1799

Downstream Synthesis Route 5

• 5527-95-7

• 100-51-6

Reference: [1]Patent: US7163949,2007,B1

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