5-Bromo-2-methylbenzotrifluoride

• CAS: 86845-27-4
• Catalog Number: ACM86845274
• Category: Bromine Series
• Molecular Weight: 239.03
• Molecular Formula: C8H6BrF3

Custom Q&A

What is the molecular formula of 5-Bromo-2-methylbenzotrifluoride?

The molecular formula is C8H6BrF3.

When was the compound created?

The compound was created on July 19, 2005.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-1-methyl-2-(trifluoromethyl)benzene.

What is the CAS number of the compound?

The CAS number is 86845-27-4.

What is the molecular weight of the compound?

The molecular weight is 239.03 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.9.

What is the topological polar surface area of the compound?

The topological polar surface area is 0Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 65934-74-9

• 86845-27-4

Reference: [1] Patent: CN107915570, 2018, A, . Location in patent: Paragraph 0057-0061; 0064-0067

Downstream Synthesis Route 1

• 86845-27-4

• 335013-18-8

Reference: [1] Patent: WO2006/18725, 2006, A1, . Location in patent: Page/Page column 208

Downstream Synthesis Route 2

• 86845-27-4

• 335013-18-8

Reference: [1] Patent: EP1806332, 2007, A1,

Downstream Synthesis Route 3

• 86845-27-4

• 335013-18-8

Reference: [1]Patent: WO2006/18725,2006,A1 .Location in patent: Page/Page column 208

Downstream Synthesis Route 4

• 86845-27-4
• 151-50-8

• 877131-92-5

Reference: [1]Patent: WO2006/18725,2006,A1 .Location in patent: Page/Page column 208-209

Downstream Synthesis Route 5

• 86845-27-4

• 955946-11-9

Reference: [1]Patent: US2010/222345,2010,A1 .Location in patent: Page/Page column 93

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