2,4-difluoro-1-iodobenzene

• ChemBase ID: 9144
• Molecular Formular: C6H3F2I
• Molecular Mass: 239.9892964
• Monoisotopic Mass: 239.92475454
• SMILES: Fc1ccc(c(c1)F)I
• Canonical SMILES: Fc1ccc(c(c1)F)I
• InChI: InChI=1S/C6H3F2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChIKey: YKLDMAPEGQYZRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-1-iodobenzene
• IUPAC Traditional name: 2,4-difluoro-1-iodobenzene
• Synonyms: 2,4-Difluoro-1-iodobenzene; 2,4-Difluoro-1-iodobenzene; 2,4-Difluoroiodobenzene; 1,3-Difluoro-4-iodobenzene; 2,4-Difluoroiodobenzene 98%; 2,4-Difluoroiodobenzene; 2,4-Difluoro-1-iodobenzene; 2,4-二氟-1-碘苯; 2,4-二氟-1-碘苯; 2,4-二氟碘苯

Database IDs

• CAS Number: 2265-93-2
• MDL Number: MFCD00040151
• Beilstein Number: 2081078
• PubChem SID: 24862795; 160972451
• PubChem CID: 137519

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1875942
• LogD (pH = 7.4): 3.1875942
• Log P: 3.1875942
• Molar Refractivity: 39.8533 cm^3
• Polarizability: 15.267443 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 175-176 °C(lit.); 175-176°C; 57-59°C/15mm
• Flash Point: 154.4 °F; 67°C; 67°C(152°F); 68 °C
• Density: 2.006; 2.006 g/mL at 25 °C(lit.)
• Refractive Index: 1.557; 1.5580; n20/D 1.557(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%; 99%
• Linear Formula: F2C6H3I

DETAILS

Sigma Aldrich - 369101

Packaging
5, 25 g in glass bottle