4-Fluorophenyl isocyanate

• CAS: 1195-45-5
• Catalog Number: ACM1195455
• 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 4-Fluorophenyl isocyanate?

The molecular formula is C7H4FNO.

What is the molecular weight of 4-Fluorophenyl isocyanate?

The molecular weight is 137.11 g/mol.

What is the IUPAC name of 4-Fluorophenyl isocyanate?

The IUPAC name is 1-fluoro-4-isocyanatobenzene.

What is the InChI of 4-Fluorophenyl isocyanate?

The InChI is InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H.

What is the InChIKey of 4-Fluorophenyl isocyanate?

The InChIKey is DSVGFKBFFICWLZ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluorophenyl isocyanate?

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

What is the CAS number of 4-Fluorophenyl isocyanate?

The CAS number is 1195-45-5.

What is the European Community (EC) number of 4-Fluorophenyl isocyanate?

The EC number is 214-799-0.

What is the UNII of 4-Fluorophenyl isocyanate?

The UNII is B2A7JE8GHW.

Is 4-Fluorophenyl isocyanate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 1195-45-5

• 30510-18-0

Reference: [1] Patent: EP372470, 1991, A3,

Downstream Synthesis Route 2

• 1195-45-5
• 63-74-1

• 178606-66-1

Reference: [1] Chemical Communications, 2010, vol. 46, # 44, p. 8371 - 8373
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 6, p. 1896 - 1902
[3] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 102 - 105

Downstream Synthesis Route 3

• 3380-34-5
• 1195-45-5

• 28386-71-2

Reference: [1]Patent: DE2004302,1970,

Downstream Synthesis Route 4

• 107-97-1
• 1195-45-5

• 370-22-9
• 1799-78-6

Reference: [1]Hanefeld; Schulze-Weisschu
[Archiv der Pharmazie, 1986, vol. 319, # 2, p. 167 - 176]

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