2-Chloro-6-fluorobenzyl chloride

• CAS: 55117-15-2
• Catalog Number: ACM55117152
• Category: Aryl
• Molecular Weight: 179.02
• Hazard Statements: H301-H314-H413
• RIDADR: UN 2929 3(6.1) / PGII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Chloro-6-fluorobenzyl chloride?

The molecular formula of 2-Chloro-6-fluorobenzyl chloride is C7H5Cl2F.

What is the PubChem CID of 2-Chloro-6-fluorobenzyl chloride?

The PubChem CID of 2-Chloro-6-fluorobenzyl chloride is 108675.

What is the IUPAC name of 2-Chloro-6-fluorobenzyl chloride?

The IUPAC name of 2-Chloro-6-fluorobenzyl chloride is 1-chloro-2-(chloromethyl)-3-fluorobenzene.

What is the InChI of 2-Chloro-6-fluorobenzyl chloride?

The InChI of 2-Chloro-6-fluorobenzyl chloride is InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2.

What is the InChIKey of 2-Chloro-6-fluorobenzyl chloride?

The InChIKey of 2-Chloro-6-fluorobenzyl chloride is MJGOLNNLNQQIHR-UHFFFAOYSA-N.

What is the CAS number of 2-Chloro-6-fluorobenzyl chloride?

The CAS number of 2-Chloro-6-fluorobenzyl chloride is 55117-15-2.

How many hydrogen bond donor counts does 2-Chloro-6-fluorobenzyl chloride have?

2-Chloro-6-fluorobenzyl chloride has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Chloro-6-fluorobenzyl chloride have?

2-Chloro-6-fluorobenzyl chloride has 1 hydrogen bond acceptor count.

What is the topological polar surface area of 2-Chloro-6-fluorobenzyl chloride?

The topological polar surface area of 2-Chloro-6-fluorobenzyl chloride is 0Ų.

How many rotatable bond counts does 2-Chloro-6-fluorobenzyl chloride have?

2-Chloro-6-fluorobenzyl chloride has 1 rotatable bond count.

Synthetic Use

Upstream Synthesis Route 1

• 56456-50-9

• 55117-15-2

Reference: [1]Butler; Alexander; McLean; Strand
[Journal of medicinal chemistry, 1971, vol. 14, # 11, p. 1052 - 1054]

Downstream Synthesis Route 1

• 40428-86-2
• 55117-15-2

• 68220-23-5
• 55779-18-5

Reference: [1] Journal of Organic Chemistry, 1980, vol. 45, # 26, p. 5419 - 5421

Downstream Synthesis Route 2

• 55117-15-2
• 66224-66-6

• 68220-23-5
• 55779-18-5

Reference: [1] Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 197 - 198

Downstream Synthesis Route 3

• 55117-15-2

• 15205-15-9

Reference: [1] Patent: US4098787, 1978, A,

Downstream Synthesis Route 4

• 5446-37-7
• 55117-15-2

• 70091-33-7

Reference: [1]Imai; Seo
[European Journal of Medicinal Chemistry, 1980, vol. 15, # 3, p. 207 - 210]
[2]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED; NIPPON SEIBUTSU KAGAKU KENKYUSHO; NIPPON SEIBUTSU KAGAKU KENKIYU - US4189485, 1980, A

Downstream Synthesis Route 5

• 16370-58-4
• 55117-15-2

• 70091-32-6

Reference: [1]Imai; Seo
[European Journal of Medicinal Chemistry, 1980, vol. 15, # 3, p. 207 - 210]
[2]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED; NIPPON SEIBUTSU KAGAKU KENKYUSHO; NIPPON SEIBUTSU KAGAKU KENKIYU - US4189485, 1980, A

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