2-Fluoro-5-methylphenyl isocyanate

• CAS: 190774-50-6
• Catalog Number: ACM190774506
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 151.14
• Molecular Formula: C8H6NOF
• Hazard Statements: H315-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Fluoro-5-methylphenyl isocyanate?

The molecular formula is C8H6FNO.

When was the compound created and last modified?

The compound was created on July 19, 2005, and last modified on December 23, 2023.

What is the IUPAC name of 2-Fluoro-5-methylphenyl isocyanate?

The IUPAC name is 1-fluoro-2-isocyanato-4-methylbenzene.

Is 2-Fluoro-5-methylphenyl isocyanate a canonicalized compound?

Yes, the compound is canonicalized.

What is the molecular weight of 2-Fluoro-5-methylphenyl isocyanate?

The molecular weight is 151.14 g/mol.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

What is the XLogP3-AA value of 2-Fluoro-5-methylphenyl isocyanate?

The XLogP3-AA value is 3.2.

What is the exact mass of the compound?

The exact mass is 151.043341977 g/mol.

How many rotatable bonds does 2-Fluoro-5-methylphenyl isocyanate have?

The compound has 1 rotatable bond.

What is the topological polar surface area of the compound?

The topological polar surface area is 29.4 Å2.

Synthetic Use

Downstream Synthesis Route 1

• 1268620-12-7
• 190774-50-6

• 1268621-35-7

Reference: [1]Current Patent Assignee: ABBVIE INC - US2011/53905, 2011, A1
Location in patent: Page/Page column 100
[2]Current Patent Assignee: ABBVIE INC - WO2015/69287, 2015, A1
Location in patent: Page/Page column 164; 165

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