4-fluoro-2-iodoaniline

• ChemBase ID: 70424
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: Nc1c(cc(cc1)F)I
• Canonical SMILES: Fc1ccc(c(c1)I)N
• InChI: InChI=1S/C6H5FIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: SETOTRGVPANENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-iodoaniline
• IUPAC Traditional name: 4-fluoro-2-iodoaniline
• Synonyms: 4-Fluoro-2-iodoaniline; 4-Fluoro-2-iodoaniline; 2-Iodo-4-fluoroaniline; 4-Fluoro-2-iodoaniline 98%; 4-氟-2-碘苯胺

Database IDs

• CAS Number: 61272-76-2
• MDL Number: MFCD00042584
• PubChem SID: 162036143
• PubChem CID: 2778283

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2152681
• LogD (pH = 7.4): 2.2159574
• Log P: 2.2159662
• Molar Refractivity: 44.3373 cm^3
• Polarizability: 16.511015 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-76°C
• Flash Point: >110°C
• Density: 1.990
• Hydrophobicity(logP): 2.465

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%