3-Fluoro-5-(trifluoromethyl)phenyl isocyanate

• CAS: 302912-19-2
• Catalog Number: ACM302912192
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 205.11
• Molecular Formula: C₈H₃F₄NO
• Hazard Statements: H302-H319
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

The molecular formula of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate is C8H3F4NO.

What is the molecular weight of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

The molecular weight of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate is 205.11 g/mol.

What are some synonyms for 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

Some synonyms for 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate include 302912-19-2, 1-fluoro-3-isocyanato-5-(trifluoromethyl)benzene, and Benzene, 1-fluoro-3-isocyanato-5-(trifluoromethyl)-.

What is the InChIKey of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

The InChIKey of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate is WGSXKYXKAARAKD-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate have?

3-Fluoro-5-(trifluoromethyl)phenyl isocyanate has 6 hydrogen bond acceptors.

What is the XLogP3-AA value of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

The XLogP3-AA value of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate is 3.7.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound created in PubChem?

The compound was created on September 8, 2005.

What is the topological polar surface area of 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate?

The topological polar surface area is 29.4 Ų.

How many rotatable bonds does 3-Fluoro-5-(trifluoromethyl)phenyl isocyanate have?

3-Fluoro-5-(trifluoromethyl)phenyl isocyanate has 1 rotatable bond.

Synthetic Use

Upstream Synthesis Route 1

• 454-67-1
• 503-38-8

• 302912-19-2

Reference: [1]Patent: US6503949,2003,B1

Downstream Synthesis Route 1

• 302912-19-2
• 307989-40-8

• 307985-13-3

Reference: [1]Current Patent Assignee: PFIZER INC - EP1183229, 2005, B1
Location in patent: Page/Page column 157; 158

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