2-Fluoro-4-hydroxybenzonitrile

• CAS: 82380-18-5
• Catalog Number: ACM82380185
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 137.11
• Hazard Statements: H301-H315-H319-H335
• RIDADR: UN 3276 6.1 / PGIII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 2-Fluoro-4-hydroxybenzonitrile?

The molecular formula of 2-Fluoro-4-hydroxybenzonitrile is C7H4FNO.

What is the molecular weight of 2-Fluoro-4-hydroxybenzonitrile?

The molecular weight of 2-Fluoro-4-hydroxybenzonitrile is 137.11 g/mol.

What is the IUPAC name of 2-Fluoro-4-hydroxybenzonitrile?

The IUPAC name of 2-Fluoro-4-hydroxybenzonitrile is 2-fluoro-4-hydroxybenzonitrile.

What is the InChIKey of 2-Fluoro-4-hydroxybenzonitrile?

The InChIKey of 2-Fluoro-4-hydroxybenzonitrile is REIVHYDACHXPNH-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 2-Fluoro-4-hydroxybenzonitrile?

There is one hydrogen bond donor count in 2-Fluoro-4-hydroxybenzonitrile.

What is the exact mass of 2-Fluoro-4-hydroxybenzonitrile?

The exact mass of 2-Fluoro-4-hydroxybenzonitrile is 137.027691913 g/mol.

How many hydrogen bond acceptor counts are there in 2-Fluoro-4-hydroxybenzonitrile?

There are three hydrogen bond acceptor counts in 2-Fluoro-4-hydroxybenzonitrile.

What is the topological polar surface area of 2-Fluoro-4-hydroxybenzonitrile?

The topological polar surface area of 2-Fluoro-4-hydroxybenzonitrile is 44 Ų.

How many rotatable bond counts are there in 2-Fluoro-4-hydroxybenzonitrile?

There are zero rotatable bond counts in 2-Fluoro-4-hydroxybenzonitrile.

Is 2-Fluoro-4-hydroxybenzonitrile a canonicalized compound?

Yes, 2-Fluoro-4-hydroxybenzonitrile is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 94610-82-9

• 82380-18-5

Reference: [1]Helvetica Chimica Acta,1984,vol. 67,p. 1572 - 1579
[2]Patent: US5455274,1995,A

Downstream Synthesis Route 1

• 82380-18-5

• 39835-11-5

Reference: [1] Patent: WO2005/111044, 2005, A1,

Downstream Synthesis Route 2

• 82380-18-5
• 74-88-4

• 94610-82-9

Reference: [1] Patent: WO2005/111044, 2005, A1, . Location in patent: Page/Page column 71-73

Downstream Synthesis Route 3

• 82380-18-5

• 394-42-3

Reference: [1] Molecular Crystals and Liquid Crystals (1969-1991), 1981, vol. 67, p. 1 - 24

Downstream Synthesis Route 4

• 82380-18-5

• 65145-13-3

Reference: [1]Patent: US2006/20146,2006,A1 .Location in patent: Page/Page column 30

Downstream Synthesis Route 5

• 20850-43-5
• 82380-18-5

• 181040-29-9

Reference: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 2732 - 2744
[2]Journal of Medicinal Chemistry,2000,vol. 43,p. 900 - 910
[3]Patent: US6048893,2000,A

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