5-iodo-2-methoxyaniline

• ChemBase ID: 296056
• Molecular Formular: C7H8INO
• Molecular Mass: 249.04899
• Monoisotopic Mass: 248.96506188
• SMILES: COc1ccc(cc1N)I
• Canonical SMILES: COc1ccc(cc1N)I
• InChI: InChI=1S/C7H8INO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
• InChIKey: KCAGMESWEMVFON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2-methoxyaniline
• IUPAC Traditional name: 5-iodo-2-methoxyaniline
• Synonyms: 2-Amino-4-iodoanisole; 5-Iodo-o-anisidine; 5-Iodo-2-methoxyaniline; 5-碘-2-甲氧基苯胺

Database IDs

• CAS Number: 77770-09-3
• MDL Number: MFCD03095407
• PubChem SID: 180681587
• PubChem CID: 12905382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9103099
• LogD (pH = 7.4): 1.9155262
• Log P: 1.915593
• Molar Refractivity: 50.5841 cm^3
• Polarizability: 19.187464 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-87°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%