5-Fluoro-3-iodotoluene

• CAS: 491862-84-1
• Catalog Number: ACM491862841
• Category: Aryl
• Molecular Weight: 236.03
• Molecular Formula: C₇H₆FI
• Synonyms: 3-Fluoro-5-iodotoluene, 491862-84-1, 5-Fluoro-3-iodotoluene, 1-fluoro-3-iodo-5-methylbenzene, 3-FLUORO-5-IODOMETHYLBENZENE, Benzene, 1-fluoro-3-iodo-5-methyl-, PubChem4547, ACMC-1AKD4, SureCN4385409, AGN-PC-00JR26, CTK4J1132, 3-fluoro-1-iodo-5-methylbenzene, MolPort-001-773-375, ACT13384, 3-FLUORO-5-METHYLIODOBENZENE, Benzene,1-fluoro-3-iodo-5-methyl-, SBB098503, ZINC55161520, AKOS015890066, AC-7440
• IUPAC Name: 1-fluoro-3-iodo-5-methylbenzene
• Canonical SMILES: CC1=CC(=CC(=C1)I)F
• InChI Key: OIYMMFUTIUURQT-UHFFFAOYSA-N
• Boiling Point: 207.4ºC at 760 mmHg
• Flash Point: 88ºC
• Density: 1.773 g/mL at 25ºC
• Exact Mass: 235.95000
• Hazard Statements: H314-H317-H330
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: 45
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 5-Fluoro-3-iodotoluene?

The molecular formula of 5-Fluoro-3-iodotoluene is C7H6FI.

What is the molecular weight of 5-Fluoro-3-iodotoluene?

The molecular weight of 5-Fluoro-3-iodotoluene is 236.02 g/mol.

What is the IUPAC name of 5-Fluoro-3-iodotoluene?

The IUPAC name of 5-Fluoro-3-iodotoluene is 1-fluoro-3-iodo-5-methylbenzene.

What is the InChI key of 5-Fluoro-3-iodotoluene?

The InChI key of 5-Fluoro-3-iodotoluene is OIYMMFUTIUURQT-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Fluoro-3-iodotoluene?

The canonical SMILES of 5-Fluoro-3-iodotoluene is CC1=CC(=CC(=C1)I)F.

What is the CAS number of 5-Fluoro-3-iodotoluene?

The CAS number of 5-Fluoro-3-iodotoluene is 491862-84-1.

What is the European Community (EC) number of 5-Fluoro-3-iodotoluene?

The European Community (EC) number of 5-Fluoro-3-iodotoluene is 623-579-7.

What is the XLogP3-AA value of 5-Fluoro-3-iodotoluene?

The XLogP3-AA value of 5-Fluoro-3-iodotoluene is 3.

What is the hydrogen bond donor count of 5-Fluoro-3-iodotoluene?

The hydrogen bond donor count of 5-Fluoro-3-iodotoluene is 0.

Does 5-Fluoro-3-iodotoluene have any defined atom stereocenter count?

No, 5-Fluoro-3-iodotoluene does not have any defined atom stereocenter count.

Synthetic Use

Downstream Synthesis Route 1

• 491862-84-1
• 82102-37-2

• 189628-39-5

Reference: [1] Journal of Organic Chemistry, 2013, vol. 78, # 12, p. 6112 - 6120

Downstream Synthesis Route 2

• 491862-84-1
• 590-29-4

• 518070-19-4

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 8, p. 2891 - 2894

Downstream Synthesis Route 3

• 1232692-92-0
• 491862-84-1

• 1312936-36-9

Reference: [1]Advanced Synthesis and Catalysis,2011,vol. 353,p. 1285 - 1305

Downstream Synthesis Route 4

• 111-34-2
• 491862-84-1
• 82102-37-2

• 1375008-13-1

Reference: [1]Organic Letters,2012,vol. 14,p. 2536 - 2539

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