2,6-Difluorophenyl isothiocyanate

• CAS: 207974-17-2
• Catalog Number: ACM207974172
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 171.17
• Hazard Statements: H302-H312-H315-H319-H332-H335
• RIDADR: UN 2810 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,6-Difluorophenyl isothiocyanate?

The molecular formula of 2,6-Difluorophenyl isothiocyanate is C7H3F2NS.

What is the molecular weight of 2,6-Difluorophenyl isothiocyanate?

The molecular weight of 2,6-Difluorophenyl isothiocyanate is 171.17 g/mol.

What are the synonyms for 2,6-Difluorophenyl isothiocyanate?

The synonyms for 2,6-Difluorophenyl isothiocyanate include 1,3-difluoro-2-isothiocyanatobenzene and 2,6-difluorophenylisothiocyanate.

When was 2,6-Difluorophenyl isothiocyanate first created?

2,6-Difluorophenyl isothiocyanate was first created on September 13, 2005.

What is the InChIKey of 2,6-Difluorophenyl isothiocyanate?

The InChIKey of 2,6-Difluorophenyl isothiocyanate is DBSXNGIBAKYMSS-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in 2,6-Difluorophenyl isothiocyanate?

There are 4 hydrogen bond acceptor counts in 2,6-Difluorophenyl isothiocyanate.

What is the exact mass of 2,6-Difluorophenyl isothiocyanate?

The exact mass of 2,6-Difluorophenyl isothiocyanate is 170.99542660 g/mol.

Is 2,6-Difluorophenyl isothiocyanate considered canonicalized?

Yes, 2,6-Difluorophenyl isothiocyanate is considered canonicalized.

How many rotatable bond counts are there in 2,6-Difluorophenyl isothiocyanate?

There is 1 rotatable bond count in 2,6-Difluorophenyl isothiocyanate.

What is the topological polar surface area of 2,6-Difluorophenyl isothiocyanate?

The topological polar surface area of 2,6-Difluorophenyl isothiocyanate is 44.4 Ų.

Synthetic Use

Upstream Synthesis Route 1

• 463-71-8
• 5509-65-9

• 207974-17-2

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2006/160857, 2006, A1
Location in patent: Page/Page column 29
[2]Tilley. Jefferson W.; Levitan, Paul; Kierstead, Richard W.; Cohen, Michael
[Journal of Medicinal Chemistry, 1980, vol. 23, # 12, p. 1387 - 1392]
[3]Current Patent Assignee: ROCHE HOLDING AG; SPARAMEDICA - US4066695, 1978, A

Downstream Synthesis Route 1

• 207974-17-2
• 107-15-3

• 65295-73-0

Reference: [1]Tilley. Jefferson W.; Levitan, Paul; Kierstead, Richard W.; Cohen, Michael
[Journal of Medicinal Chemistry, 1980, vol. 23, # 12, p. 1387 - 1392]

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