4-Fluorophenylacetyl chloride

• CAS: 459-04-1
• Catalog Number: ACM459041
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 172.58
• Molecular Formula: C8H6ClFO
• Hazard Statements: H226-H302-H312-H315-H319-H332-H335
• RIDADR: UN 1989C 3 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-Fluorophenylacetyl chloride?

The molecular formula of 4-Fluorophenylacetyl chloride is C8H6ClFO.

When was 4-Fluorophenylacetyl chloride created and last modified?

4-Fluorophenylacetyl chloride was created on September 10, 2005, and last modified on December 23, 2023.

What is the IUPAC name of 4-Fluorophenylacetyl chloride?

The IUPAC name of 4-Fluorophenylacetyl chloride is 2-(4-fluorophenyl)acetyl chloride.

What is the Canonical SMILES of 4-Fluorophenylacetyl chloride?

The Canonical SMILES of 4-Fluorophenylacetyl chloride is C1=CC(=CC=C1CC(=O)Cl)F.

What is the molecular weight of 4-Fluorophenylacetyl chloride?

The molecular weight of 4-Fluorophenylacetyl chloride is 172.58 g/mol.

How many hydrogen bond acceptors are present in 4-Fluorophenylacetyl chloride?

There are 2 hydrogen bond acceptors present in 4-Fluorophenylacetyl chloride.

What is the Exact Mass of 4-Fluorophenylacetyl chloride?

The Exact Mass of 4-Fluorophenylacetyl chloride is 172.0091207 g/mol.

How many rotatable bond counts are there in 4-Fluorophenylacetyl chloride?

There are 2 rotatable bond counts in 4-Fluorophenylacetyl chloride.

Is 4-Fluorophenylacetyl chloride a canonicalized compound?

Yes, 4-Fluorophenylacetyl chloride is a canonicalized compound.

What is the complexity value of 4-Fluorophenylacetyl chloride?

The complexity value of 4-Fluorophenylacetyl chloride is 141.

Synthetic Use

Downstream Synthesis Route 1

• 64-17-5
• 459-04-1

• 587-88-2

Reference: [1] Organic Letters, 2007, vol. 9, # 21, p. 4203 - 4206
[2] Journal of the American Chemical Society, 2003, vol. 125, # 46, p. 13948 - 13949
[3] Journal of Organic Chemistry, 2009, vol. 74, # 6, p. 2571 - 2574
[4] Patent: WO2011/120153, 2011, A1, . Location in patent: Page/Page column 70-71
[5] Patent: WO2008/76427, 2008, A2, . Location in patent: Page/Page column 77

Downstream Synthesis Route 2

• 1066-54-2
• 459-04-1

• 13101-83-2

Reference: [1] Patent: US6242493, 2001, B1,

Downstream Synthesis Route 3

• 459-04-1

• 13101-83-2

Reference: [1] Australian Journal of Chemistry, 1970, vol. 23, p. 1921 - 1937

Downstream Synthesis Route 4

• 71-43-2
• 459-04-1

• 347-91-1

Reference: [1]Tetrahedron,2007,vol. 63,p. 8124 - 8134
[2]Patent: WO2005/56004,2005,A1 .Location in patent: Page/Page column 142
[3]Tetrahedron Letters,2015,vol. 56,p. 1575 - 1580
[4]Tetrahedron,1970,vol. 26,p. 5557 - 5579
[5]Chemical Communications,2021,vol. 57,p. 2069 - 2072

Downstream Synthesis Route 5

• 74-85-1
• 459-04-1

• 29419-14-5

Reference: [1]Australian Journal of Chemistry,1970,vol. 23,p. 1921 - 1937

Downstream Synthesis Route 6

• 459-04-1

• 332-29-6

Reference: [1]Journal of the American Chemical Society,1984,vol. 106,p. 3344 - 3353

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