2,4-Difluorophenyl isocyanate

• CAS: 59025-55-7
• Catalog Number: ACM59025557
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 155.10
• Hazard Statements: H302-H312-H315-H319-H332-H335
• RIDADR: UN 2206PSN2B 6.1 / PGII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,4-Difluorophenyl isocyanate?

The molecular formula of 2,4-Difluorophenyl isocyanate is C7H3F2NO.

When was 2,4-Difluorophenyl isocyanate created and last modified?

2,4-Difluorophenyl isocyanate was created on 2005-03-27 and last modified on 2023-12-23.

What is the computed IUPAC name of 2,4-Difluorophenyl isocyanate?

The computed IUPAC name of 2,4-Difluorophenyl isocyanate is 2,4-difluoro-1-isocyanatobenzene.

What is the InChIKey of 2,4-Difluorophenyl isocyanate?

The InChIKey of 2,4-Difluorophenyl isocyanate is HNENEALJPWJWJY-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,4-Difluorophenyl isocyanate?

The Canonical SMILES of 2,4-Difluorophenyl isocyanate is C1=CC(=C(C=C1F)F)N=C=O.

What is the molecular weight of 2,4-Difluorophenyl isocyanate?

The molecular weight of 2,4-Difluorophenyl isocyanate is 155.10 g/mol.

How many hydrogen bond donor count does 2,4-Difluorophenyl isocyanate have?

2,4-Difluorophenyl isocyanate has 0 hydrogen bond donor count.

What is the topological polar surface area of 2,4-Difluorophenyl isocyanate?

The topological polar surface area of 2,4-Difluorophenyl isocyanate is 29.4 Ų.

How many rotatable bond counts does 2,4-Difluorophenyl isocyanate have?

2,4-Difluorophenyl isocyanate has 1 rotatable bond count.

Is the compound canonicalized for 2,4-Difluorophenyl isocyanate?

Yes, the compound is canonicalized for 2,4-Difluorophenyl isocyanate.

Synthetic Use

Downstream Synthesis Route 1

• 720702-45-4
• 839713-95-0
• 59025-55-7

• 839713-36-9

Reference: [1] Patent: WO2005/103011, 2005, A1, . Location in patent: Page/Page column 48

Downstream Synthesis Route 2

• 720702-45-4
• 59025-55-7

• 839713-36-9

Reference: [1] Patent: US2016/67216, 2016, A1, . Location in patent: Paragraph 0834; 0835

Downstream Synthesis Route 3

• 59025-55-7

• 839713-36-9

Reference: [1] Patent: WO2006/81335, 2006, A2, . Location in patent: Page/Page column 36-38

Downstream Synthesis Route 4

• 59025-55-7
• 130804-28-3

• 139772-88-6

Reference: [1]Higley; Wilde; Maduskuie; Johnson; Pennev; Billheimer; Robinson; Gillies; Wexler
[Journal of Medicinal Chemistry, 1994, vol. 37, # 21, p. 3511 - 3522]

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