1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane

• ChemBase ID: 8907
• Molecular Formular: C6F12I2
• Molecular Mass: 553.8539784
• Monoisotopic Mass: 553.78978464
• SMILES: IC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(I)(F)F)(F)F)(C(C(C(I)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20
• InChIKey: JOQDDLBOAIKFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
• Synonyms: 1,6-Diiodododecafluorohexane; 1,6-Diiodoperfluorohexane 98%; 1,6-Diiodoperfluorohexane; Dodecafluoro-1,6-diiodohexane; Perfluoro-1,6-diiodohexane; 1,6-Diiodoperfluorohexane; 1,6-二碘全氟己烷; 1,6-二碘全氟己烷; 十二氟-1,6-二碘代己烷; 1,6-二碘代十二氟己烷

Database IDs

• CAS Number: 375-80-4
• EC Number: 206-794-7
• MDL Number: MFCD00042264
• Beilstein Number: 1822186
• PubChem SID: 24870939; 160972214
• PubChem CID: 78994

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6774
• LogD (pH = 7.4): 5.6774
• Log P: 5.6774
• Molar Refractivity: 57.4906 cm^3
• Polarizability: 23.202372 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 25°C; 25°C; 25-30 °C(lit.)
• Boiling Point: 115°C/100mm; 115°C/100mm; 173-174 °C(lit.)
• Flash Point: none°C
• Density: 2.357
• Refractive Index: 1.398; 1.3980

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%; 97%
• Linear Formula: I(CF2)6I