3-Fluorobenzoyl chloride

• CAS: 1711-07-5
• Catalog Number: ACM1711075
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 158.56
• Molecular Formula: C₇H₄ClFO
• Hazard Statements: H302-H315-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Fluorobenzoyl chloride?

The molecular formula of 3-Fluorobenzoyl chloride is C7H4ClFO.

What is the molecular weight of 3-Fluorobenzoyl chloride?

The molecular weight of 3-Fluorobenzoyl chloride is 158.56 g/mol.

What is the IUPAC name of 3-Fluorobenzoyl chloride?

The IUPAC name of 3-Fluorobenzoyl chloride is 3-fluorobenzoyl chloride.

What is the InChI key of 3-Fluorobenzoyl chloride?

The InChI key of 3-Fluorobenzoyl chloride is SYVNVEGIRVXRQH-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluorobenzoyl chloride?

The canonical SMILES of 3-Fluorobenzoyl chloride is C1=CC(=CC(=C1)F)C(=O)Cl.

What is the CAS number of 3-Fluorobenzoyl chloride?

The CAS number of 3-Fluorobenzoyl chloride is 1711-07-5.

What is the XLogP3 value of 3-Fluorobenzoyl chloride?

The XLogP3 value of 3-Fluorobenzoyl chloride is 3.1.

How many hydrogen bond donor counts does 3-Fluorobenzoyl chloride have?

3-Fluorobenzoyl chloride has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Fluorobenzoyl chloride have?

3-Fluorobenzoyl chloride has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Fluorobenzoyl chloride have?

3-Fluorobenzoyl chloride has 1 rotatable bond count.

Synthetic Use

Upstream Synthesis Route 1

• 455-38-9

• 1711-07-5

Reference: [1]Chattopadhyay, Buddhadeb; Hassan, Mirja Md Mahamudul; Hoque, Md Emdadul
[Journal of the American Chemical Society, 2021, vol. 143, # 13, p. 5022 - 5037]

Downstream Synthesis Route 1

• 6638-79-5
• 1711-07-5

• 226260-01-1

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 4, p. 1415 - 1419
[2] Patent: WO2016/145103, 2016, A1, . Location in patent: Paragraph 0165
[3] Patent: US6174874, 2001, B1,
[4] Patent: US2008/249095, 2008, A1, . Location in patent: Page/Page column 44

Downstream Synthesis Route 2

• 1711-07-5

• 331-25-9

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 15, p. 1723 - 1727

Downstream Synthesis Route 3

• 1711-07-5

• 456-47-3

Reference: [1] Journal of the American Chemical Society, 1963, vol. 85, p. 709 - 724

Downstream Synthesis Route 4

• 100-66-3
• 1711-07-5

• 345-89-1

Reference: [1]Journal of the Chemical Society,1936,p. 1854,1855

Downstream Synthesis Route 5

• 100-66-3
• 1711-07-5

• 96719-99-2

Reference: [1]Bao, Xiaofeng; Jin, Yanyan; Liu, Xiaolu; Liao, Hong; Zhang, Luyong; Pang, Tao
[RSC Advances, 2014, vol. 4, # 13, p. 6761 - 6775]
[2]Yu, Zhiyi; Van Veldhoven, Jacobus P.D.; 'T Hart, Ingrid M.E.; Kopf, Adrian H.; Heitman, Laura H.; Ijzerman, Adriaan P.
[European Journal of Medicinal Chemistry, 2015, vol. 106, p. 50 - 59]
[3]Kubo, Kazuo; Ohyama, Shin-Ichi; Shimizu, Toshiyuki; Takami, Atsuya; Murooka, Hideko; Nishitoba, Tsuyoshi; Kato, Shinichiro; Yagi, Mikio; Kobayashi, Yoshiko; Iinuma, Noriko; Isoe, Toshiyuki; Nakamura, Kazuhide; Iijima, Hiroshi; Osawa, Tatsushi; Izawa, Toshio
[Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 23, p. 5117 - 5133]
[4]Jones
[Journal of the Chemical Society, 1936, p. 1854,1855]

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