4-(Chloromethyl)benzyl alcohol

• CAS: 16473-35-1
• Catalog Number: ACM16473351-1
• Category: Alcohols
• Molecular Weight: 156.61
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-(Chloromethyl)benzyl alcohol?

The molecular formula of 4-(Chloromethyl)benzyl alcohol is C8H9ClO.

When was the PubChem CID for 4-(Chloromethyl)benzyl alcohol created and modified?

The PubChem CID for 4-(Chloromethyl)benzyl alcohol was created on September 18, 2005, and last modified on November 25, 2023.

What is the IUPAC name of 4-(Chloromethyl)benzyl alcohol?

The IUPAC name of 4-(Chloromethyl)benzyl alcohol is [4-(chloromethyl)phenyl]methanol.

What is the Canonical SMILES for 4-(Chloromethyl)benzyl alcohol?

The Canonical SMILES for 4-(Chloromethyl)benzyl alcohol is C1=CC(=CC=C1CO)CCl.

What is the molecular weight of 4-(Chloromethyl)benzyl alcohol?

The molecular weight of 4-(Chloromethyl)benzyl alcohol is 156.61 g/mol.

How many hydrogen bond donor counts does 4-(Chloromethyl)benzyl alcohol have?

4-(Chloromethyl)benzyl alcohol has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-(Chloromethyl)benzyl alcohol?

The topological polar surface area of 4-(Chloromethyl)benzyl alcohol is 20.2Ų.

How many rotatable bond counts does 4-(Chloromethyl)benzyl alcohol have?

4-(Chloromethyl)benzyl alcohol has 2 rotatable bond counts.

Is 4-(Chloromethyl)benzyl alcohol a covalently-bonded unit?

Yes, 4-(Chloromethyl)benzyl alcohol is a covalently-bonded unit.

What is the XLogP3 value of 4-(Chloromethyl)benzyl alcohol?

The XLogP3 value of 4-(Chloromethyl)benzyl alcohol is 1.6.

Synthetic Use

Upstream Synthesis Route 1

• 1642-81-5

• 16473-35-1

Reference: [1] Patent: WO2003/106403, 2003, A1, . Location in patent: Page 23

Upstream Synthesis Route 2

• 589-29-7

• 16473-35-1

Reference: [1] Tetrahedron, 2013, vol. 69, # 30, p. 6203 - 6212

Upstream Synthesis Route 3

• 876-08-4

• 16473-35-1

Reference: [1] RSC Advances, 2017, vol. 7, # 53, p. 33248 - 33256
[2] Patent: JP6222973, 2017, B2, . Location in patent: Paragraph 0070

Upstream Synthesis Route 4

• 589-29-7

• 16473-35-1

Reference: [1]Tetrahedron,2013,vol. 69,p. 6203 - 6212

Downstream Synthesis Route 1

• 110-87-2
• 16473-35-1

• 171358-70-6

Reference: [1]Journal of Organic Chemistry,1996,vol. 61,p. 444 - 450

Downstream Synthesis Route 2

• 16473-35-1

• 73291-09-5

Reference: [1]Journal of the American Chemical Society,2005,vol. 127,p. 9271 - 9276

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