4-Iodoaniline

• Catalog Number: ACM540374
• Product Name: 4-Iodoaniline
• CAS: 540-37-4
• Category: Other
• IUPAC Name: 4-iodoaniline
• Molecular Weight: 219.02g/mol
• Molecular Formula: C6H6IN;C6H6IN
• 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