1,3-difluoro-5-iodo-2-methoxybenzene

• ChemBase ID: 100931
• Molecular Formular: C7H5F2IO
• Molecular Mass: 270.0152764
• Monoisotopic Mass: 269.93531922
• SMILES: O(c1c(cc(cc1F)I)F)C
• Canonical SMILES: COc1c(F)cc(cc1F)I
• InChI: InChI=1S/C7H5F2IO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
• InChIKey: VPBVKAYYQNPEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-difluoro-5-iodo-2-methoxybenzene
• IUPAC Traditional name: 1,3-difluoro-5-iodo-2-methoxybenzene
• Synonyms: 2,6-Difluoro-4-iodoanisole; 2,6-Difluoro-4-iodoanisole; 2,6-二氟-4-碘苯甲醚

Database IDs

• CAS Number: 886762-68-1
• MDL Number: MFCD07368787
• PubChem SID: 162086689
• PubChem CID: 2783151

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.029923
• LogD (pH = 7.4): 3.029923
• Log P: 3.029923
• Molar Refractivity: 46.3165 cm^3
• Polarizability: 17.812243 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5560

Safety Information

• Storage Warning: Irritant; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 99%