5-fluoro-2-iodoaniline

• ChemBase ID: 97186
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: Nc1c(ccc(c1)F)I
• Canonical SMILES: Fc1ccc(c(c1)N)I
• InChI: InChI=1S/C6H5FIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
• InChIKey: UCPDOOZBROQHME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-iodoaniline
• IUPAC Traditional name: 5-fluoro-2-iodoaniline
• Synonyms: 5-Fluoro-2-iodoaniline; 5-Fluoro-2-iodoaniline; 5-氟-2-碘苯胺

Database IDs

• CAS Number: 255724-71-1
• EC Number: 000-000-0
• MDL Number: MFCD02093953
• Beilstein Number: 8478850
• PubChem SID: 162083798
• PubChem CID: 2774512

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2157764
• LogD (pH = 7.4): 2.2159638
• Log P: 2.2159662
• Molar Refractivity: 44.3373 cm^3
• Polarizability: 16.510834 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-42°C; 40-42°C

Safety Information

• Storage Warning: Light Sensitive; Toxic/Harmful/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%