4-Fluorophenyl chloroformate

• CAS: 38377-38-7
• Catalog Number: ACM38377387
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 174.56
• Molecular Formula: C₇H₄ClFO
• Synonyms: 4-Fluorophenyl chloroformate, 328723_ALDRICH, ZINC00389521, CID2733256, 38377-38-7
• IUPAC Name: (4-fluorophenyl) carbonochloridate
• SMILES: C1=CC(=CC=C1OC(=O)Cl)F
• InChI Key: MSBGPEACXKBQSX-UHFFFAOYSA-N
• Boiling Point: 190.2ºC at 760 mmHg
• Flash Point: 169 °F
• Density: 1.329 g/mL at 25ºC(lit.)
• EC Number: 609-545-4
• Exact Mass: 173.98800
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-Fluorophenyl chloroformate?

The molecular formula of 4-Fluorophenyl chloroformate is C7H4ClFO2.

What is the molecular weight of 4-Fluorophenyl chloroformate?

The molecular weight of 4-Fluorophenyl chloroformate is 174.55 g/mol.

When was 4-Fluorophenyl chloroformate created and last modified?

4-Fluorophenyl chloroformate was created on 2005-07-19 and last modified on 2023-12-23.

What is the IUPAC name of 4-Fluorophenyl chloroformate?

The IUPAC name of 4-Fluorophenyl chloroformate is (4-fluorophenyl) carbonochloridate.

What is the InChI key of 4-Fluorophenyl chloroformate?

The InChI key of 4-Fluorophenyl chloroformate is MSBGPEACXKBQSX-UHFFFAOYSA-N.

What is the canonical SMILES notation for 4-Fluorophenyl chloroformate?

The canonical SMILES notation for 4-Fluorophenyl chloroformate is C1=CC(=CC=C1OC(=O)Cl)F.

What is the CAS number of 4-Fluorophenyl chloroformate?

The CAS number of 4-Fluorophenyl chloroformate is 38377-38-7.

What is the XLogP3 value for 4-Fluorophenyl chloroformate?

The XLogP3 value for 4-Fluorophenyl chloroformate is 2.5.

How many hydrogen bond acceptors does 4-Fluorophenyl chloroformate have?

4-Fluorophenyl chloroformate has 3 hydrogen bond acceptors.

Is 4-Fluorophenyl chloroformate canonically represented by a single unit?

Yes, 4-Fluorophenyl chloroformate is canonically represented by a single unit.

Synthetic Use

Upstream Synthesis Route 1

• 371-41-5
• 32315-10-9

• 38377-38-7

Reference: [1] Chemistry - A European Journal, 2013, vol. 19, # 42, p. 14047 - 14051
[2] Organic Letters, 2018, vol. 20, # 16, p. 4838 - 4842

Upstream Synthesis Route 2

• 371-41-5
• 503-38-8

• 38377-38-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 8, p. 1716 - 1727

Downstream Synthesis Route 1

• 38377-38-7

• 13451-79-1

Reference: [1] Organic Letters, 2018, vol. 20, # 16, p. 4838 - 4842

Downstream Synthesis Route 2

• 371-41-5
• 38377-38-7

• 247032-21-9

Reference: [1]Current Patent Assignee: DAIICHI SANKYO COMPANY, LIMITED - EP1375482, 2004, A1
Location in patent: Page 129-130
[2]Rahmathullah, Syed M.; Hall, James Edwin; Bender, Brendan C.; McCurdy, Donald R.; Tidwell, Richard R.; Boykin, David W.
[Journal of Medicinal Chemistry, 1999, vol. 42, # 19, p. 3994 - 4000]

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