4-Iodoaniline

• CAS: 540-37-4
• Catalog Number: ACM540374
• Category: Other
• Molecular Weight: 219.02g/mol
• Molecular Formula: C6H6IN;C6H6IN
• IUPAC Name: 4-iodoaniline
• Canonical SMILES: C1=CC(=CC=C1N)I
• InChI: InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N
• Melting Point: 67.5 °C
• Complexity: 66.9
• Covalently-Bonded Unit Count: 1
• EC Number: 208-743-4
• Exact Mass: 218.9545g/mol
• Formal Charge: 0
• Hazard Statements: H301 + H311 + H331-H373-H410
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 8
• LogP: 2.34 (LogP)
• Monoisotopic Mass: 218.9545g/mol
• NSC Number: 9246
• RIDADR: UN1661 - class 6.1 - PG 2 - EHS - Nitroanilines
• Rotatable Bond Count: 0
• Symbol: GHS06
• UNII: 0BMK56397B
• XLogP3: 2.3

Synthetic Use

Downstream Synthesis Route 1

• 288-13-1
• 540-37-4

• 17635-45-9

Reference: [1] Angewandte Chemie - International Edition, 2007, vol. 46, # 6, p. 934 - 936
[2] Patent: WO2008/4088, 2008, A2, . Location in patent: Page/Page column 46-47
[3] Tetrahedron Letters, 2009, vol. 50, # 42, p. 5868 - 5871
[4] RSC Advances, 2015, vol. 5, # 130, p. 107547 - 107556

Downstream Synthesis Route 2

• 3054-95-3
• 540-37-4

• 13327-31-6

Reference: [1] Tetrahedron Letters, 2015, vol. 56, # 46, p. 6436 - 6439

Downstream Synthesis Route 3

• 540-37-4

• 13327-31-6

Reference: [1] Chinese Chemical Letters, 2014, vol. 25, # 5, p. 779 - 782

Downstream Synthesis Route 4

• 288-32-4
• 540-37-4

• 2221-00-3

Reference: [1]Ricerca Scientifica,1958,vol. 28,p. 105,108, 109

Downstream Synthesis Route 5

• 24867-26-3
• 540-37-4

• 87356-98-7

Reference: [1]Green Chemistry,2013,vol. 15,p. 336 - 340

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