3-Fluorophenyl isocyanate

• CAS: 404-71-7
• Catalog Number: ACM404717
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 137.11
• Molecular Formula: C₈H₇FO₂
• Hazard Statements: H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Fluorophenyl isocyanate?

The molecular formula of 3-Fluorophenyl isocyanate is C7H4FNO.

What is the molecular weight of 3-Fluorophenyl isocyanate?

The molecular weight of 3-Fluorophenyl isocyanate is 137.11 g/mol.

What are some synonyms for 3-Fluorophenyl isocyanate?

Some synonyms for 3-Fluorophenyl isocyanate include 1-Fluoro-3-isocyanatobenzene and m-Fluorophenyl isocyanate.

When was 3-Fluorophenyl isocyanate created according to PubChem?

3-Fluorophenyl isocyanate was created on March 27, 2005.

What is the IUPAC Name of 3-Fluorophenyl isocyanate?

The IUPAC Name of 3-Fluorophenyl isocyanate is 1-fluoro-3-isocyanatobenzene.

What is the InChIKey of 3-Fluorophenyl isocyanate?

The InChIKey of 3-Fluorophenyl isocyanate is RIKWVZGZRYDACA-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 3-Fluorophenyl isocyanate have?

3-Fluorophenyl isocyanate has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Fluorophenyl isocyanate?

The topological polar surface area of 3-Fluorophenyl isocyanate is 29.4 Ų.

How many rotatable bond counts does 3-Fluorophenyl isocyanate have?

3-Fluorophenyl isocyanate has 1 rotatable bond count.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 75-44-5
• 372-19-0

• 404-71-7

Reference: [1]Current Patent Assignee: HEBEI UNIVERSITY OF SCIENCES AND TECHNOLOGY - CN109400604, 2019, A
Location in patent: Paragraph 0084; 0093; 0094
[2]Current Patent Assignee: DUPONT DE NEMOURS INC - US2625561, 1950, A
[3]Current Patent Assignee: HUAZHONG AGRICULTURAL UNIVERSITY - CN103626805, 2016, B
Location in patent: Paragraph 0037; 0038

Downstream Synthesis Route 1

• 60456-26-0
• 404-71-7

• 149524-42-5

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 1996, vol. 6, # 9, p. 1009 - 1014

Downstream Synthesis Route 2

• 461-98-3
• 404-71-7

• 79513-90-9

Reference: [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 345 - 348

Downstream Synthesis Route 3

• 60456-26-0
• 404-71-7

• 149524-42-5

Reference: [1]Bioorganic and Medicinal Chemistry Letters,1996,vol. 6,p. 1009 - 1014

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