1,2,3,4-tetrafluoro-5,6-diiodobenzene

• ChemBase ID: 9402
• Molecular Formular: C6F4I2
• Molecular Mass: 401.8667528
• Monoisotopic Mass: 401.80255888
• SMILES: c1(c(c(c(c(c1F)I)I)F)F)F
• Canonical SMILES: Fc1c(F)c(F)c(c(c1F)I)I
• InChI: InChI=1S/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChIKey: JQBYIZAYQMMVTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrafluoro-5,6-diiodobenzene
• IUPAC Traditional name: 1,2,3,4-tetrafluoro-5,6-diiodobenzene
• Synonyms: 1,2-Diiodotetrafluorobenzene; 1,2-Diiodotetrafluorobenzene 99%; 1,2-Diiodotetrafluorobenzene; 1,2-二碘四氟苯

Database IDs

• CAS Number: 2708-97-6
• EC Number: 220-303-3
• MDL Number: MFCD00019011
• PubChem SID: 24860251; 160972709
• PubChem CID: 75923

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4019427
• LogD (pH = 7.4): 4.4019427
• Log P: 4.4019427
• Molar Refractivity: 53.6486 cm^3
• Polarizability: 20.946487 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-50 °C(lit.); 49-50°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C6F4I2

DETAILS

Sigma Aldrich - 334707

Packaging
5 g in glass bottle