(4-iodophenyl)methanamine

• ChemBase ID: 90804
• Molecular Formular: C7H8IN
• Molecular Mass: 233.04959
• Monoisotopic Mass: 232.97014726
• SMILES: NCc1ccc(cc1)I
• Canonical SMILES: NCc1ccc(cc1)I
• InChI: InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
• InChIKey: KCGZGJOBKAXVSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-iodophenyl)methanamine
• IUPAC Traditional name: (4-iodophenyl)methanamine
• Synonyms: (4-Iodophenyl)methylamine; 4-Iodobenzylamine 97%; 4-IODOBENZYLAMINE; 4-Iodobenzyl amine; 4-Iodobenzylamine; 4-碘苄胺

Database IDs

• CAS Number: 39959-59-6
• EC Number: 000-000-0
• MDL Number: MFCD00047933
• Beilstein Number: 2689605
• PubChem SID: 162077535
• PubChem CID: 2737533

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95670074
• LogD (pH = 7.4): 0.007531338
• Log P: 2.0279586
• Molar Refractivity: 47.8939 cm^3
• Polarizability: 18.770426 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48°C; 46-48°C
• Boiling Point: 113-115°C/4mm; 113-115°C/4mm

Safety Information

• Storage Warning: Air & Light Sensitive; Corrosive/Air Sensitive/Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%