3,4-Difluorophenyl isocyanate

• CAS: 42601-04-7
• Catalog Number: ACM42601047
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 155.10
• Hazard Statements: H302 + H312 + H332-H315-H319-H335
• RIDADR: UN 3334
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3,4-Difluorophenyl isocyanate?

The molecular formula is C7H3F2NO.

What is the molecular weight of 3,4-Difluorophenyl isocyanate?

The molecular weight is 155.10 g/mol.

What is the IUPAC name of 3,4-Difluorophenyl isocyanate?

The IUPAC name is 1,2-difluoro-4-isocyanatobenzene.

What is the InChIKey of 3,4-Difluorophenyl isocyanate?

The InChIKey is YBWJVFMNWMLZEN-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4-Difluorophenyl isocyanate?

The canonical SMILES is C1=CC(=C(C=C1N=C=O)F)F.

What is the CAS number of 3,4-Difluorophenyl isocyanate?

The CAS number is 42601-04-7.

How many hydrogen bond donor count does 3,4-Difluorophenyl isocyanate have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does 3,4-Difluorophenyl isocyanate have?

It has 4 hydrogen bond acceptor count.

What is the topological polar surface area of 3,4-Difluorophenyl isocyanate?

The topological polar surface area is 29.4 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 42601-04-7
• 76606-39-8

• 1448705-04-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 4562 - 4566

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