1-(Chloromethyl)naphthalene

• CAS: 86-52-2
• Catalog Number: ACM86522
• Category: Aryl
• Molecular Weight: 176.64
• Molecular Formula: C₁₀H₁₁Br
• Hazard Statements: H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-(chloromethyl)naphthalene?

The molecular formula is C11H9Cl.

What is the molecular weight of 1-(chloromethyl)naphthalene?

The molecular weight is 176.64 g/mol.

What is the IUPAC name of 1-(chloromethyl)naphthalene?

The IUPAC name is 1-(chloromethyl)naphthalene.

What is the InChI of 1-(chloromethyl)naphthalene?

The InChI is InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.

What is the InChIKey of 1-(chloromethyl)naphthalene?

The InChIKey is XMWGTKZEDLCVIG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1-(chloromethyl)naphthalene have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 1-(chloromethyl)naphthalene have?

It has 0 hydrogen bond acceptor count.

What is the topological polar surface area of 1-(chloromethyl)naphthalene?

The topological polar surface area is 0Ų.

How many rotatable bond counts does 1-(chloromethyl)naphthalene have?

It has 1 rotatable bond count.

What is the XLogP3 value of 1-(chloromethyl)naphthalene?

The XLogP3 value is 3.7.

Synthetic Use

Downstream Synthesis Route 1

• 68-12-2
• 86-52-2

• 16413-71-1

Reference: [1] Journal of Chemical Research, 2013, vol. 37, # 10, p. 611 - 614
[2] Tetrahedron, 2014, vol. 70, # 4, p. 880 - 885

Downstream Synthesis Route 2

• 124-40-3
• 86-52-2

• 16413-71-1

Reference: [1] Tetrahedron Letters, 1999, vol. 40, # 45, p. 7883 - 7887
[2] Journal of the American Chemical Society, 1967, vol. 89, p. 2297 - 2303
[3] Journal of the American Chemical Society, 1988, vol. 110, # 19, p. 6579 - 6581

Downstream Synthesis Route 3

• 3400-38-2
• 86-52-2

• 14489-75-9

Reference: [1] Patent: US6329399, 2001, B1,

Downstream Synthesis Route 4

• 110-91-8
• 86-52-2

• 2862-82-0

Reference: [1]Journal of the American Chemical Society,2012,vol. 134,p. 5492 - 5495
[2]Patent: US2018/312980,2018,A1 .Location in patent: Paragraph 0139; 0140
[3]Journal of the American Chemical Society,1938,vol. 60,p. 896,899

Downstream Synthesis Route 5

• 603-35-0
• 86-52-2

• 23277-00-1

Reference: [1]Molecules,2017,vol. 22

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