3-Fluoro-4-iodobenzonitrile

• CAS: 887266-99-1
• Catalog Number: ACM887266991
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 247.01
• Molecular Formula: C₇H₃FIN
• Synonyms: 3-FLUORO-4-IODOBENZONITRILE, 887266-99-1, Benzonitrile, 3-fluoro-4-iodo-, SBB064505, ACMC-20aiba, PubChem4781, SureCN2326230, 3-fluoro-4-iodo benzonitrile, KSC661E6H, Benzonitrile,3-fluoro-4-iodo-, CTK5G1263, MolPort-001-778-510, 3-fluoro-4-iodobenzenecarbonitrile, 4-CYANO-2-FLUOROIODOBENZENE, ACT12380, BUTTPARK 156\01-73, ANW-74660, ZINC12957470, AKOS015852994, AC-4075
• IUPAC Name: 3-fluoro-4-iodobenzonitrile
• InChI Key: NPKQMCCUPXZXFI-UHFFFAOYSA-N
• Melting Point: 110-113℃
• Exact Mass: 246.92900
• Hazard Statements: H302-H314
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-39
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Fluoro-4-iodobenzonitrile?

The molecular formula of 3-Fluoro-4-iodobenzonitrile is C7H3FIN.

What is the molecular weight of 3-Fluoro-4-iodobenzonitrile?

The molecular weight of 3-Fluoro-4-iodobenzonitrile is 247.01 g/mol.

What are some synonyms for 3-Fluoro-4-iodobenzonitrile?

Some synonyms include 3-FLUORO-4-IODOBENZONITRILE, 4-CYANO-2-FLUOROIODOBENZENE, and more.

What is the IUPAC name of 3-Fluoro-4-iodobenzonitrile?

The IUPAC name of 3-Fluoro-4-iodobenzonitrile is 3-fluoro-4-iodobenzonitrile.

What is the InChIKey of 3-Fluoro-4-iodobenzonitrile?

The InChIKey of 3-Fluoro-4-iodobenzonitrile is NPKQMCCUPXZXFI-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Fluoro-4-iodobenzonitrile?

The Canonical SMILES of 3-Fluoro-4-iodobenzonitrile is C1=CC(=C(C=C1C#N)F)I.

What is the exact mass of 3-Fluoro-4-iodobenzonitrile?

The exact mass of 3-Fluoro-4-iodobenzonitrile is 246.92942 g/mol.

How many hydrogen bond acceptor counts are there in 3-Fluoro-4-iodobenzonitrile?

There are 2 hydrogen bond acceptor counts in 3-Fluoro-4-iodobenzonitrile.

Is 3-Fluoro-4-iodobenzonitrile a canonicalized compound?

Yes, 3-Fluoro-4-iodobenzonitrile is a canonicalized compound.

When was 3-Fluoro-4-iodobenzonitrile first created and last modified?

3-Fluoro-4-iodobenzonitrile was first created on 2008-02-29 and last modified on 2023-12-23.

Synthetic Use

Upstream Synthesis Route 1

• 63069-50-1

• 887266-99-1

Reference: [1] Patent: WO2016/55947, 2016, A1, . Location in patent: Page/Page column 57

Upstream Synthesis Route 2

• 218632-01-0

• 887266-99-1

Reference: [1] Patent: WO2016/55947, 2016, A1,

Downstream Synthesis Route 1

• 887266-99-1

• 1353683-80-3

Reference: [1]Tetrahedron,2011,vol. 67,p. 8183 - 8186

Downstream Synthesis Route 2

• 887266-99-1
• 30418-59-8

• 1386459-71-7

Reference: [1]Patent: WO2012/93101,2012,A1 .Location in patent: Page/Page column 237

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