1,2-dichloro-1,1,2-trifluoro-2-iodoethane

• ChemBase ID: 8936
• Molecular Formular: C2Cl2F3I
• Molecular Mass: 278.8270796
• Monoisotopic Mass: 277.83738802
• SMILES: C(C(Cl)(F)I)(Cl)(F)F
• Canonical SMILES: FC(C(Cl)(F)F)(I)Cl
• InChI: InChI=1S/C2Cl2F3I/c3-1(5,6)2(4,7)8
• InChIKey: HCUGPHQZDLROAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,1,2-trifluoro-2-iodoethane; 1,2-dichloro-1,2,2-trifluoro-1-iodoethane
• IUPAC Traditional name: 1,2-dichloro-1,1,2-trifluoro-2-iodoethane; 1,2-dichloro-1,2,2-trifluoro-1-iodoethane
• Synonyms: 1,2-Dichloro-1-iodo-1,2,2-trifluoroethane; 1,2-Dichloro-1,1,2-trifluoro-2-iodoethane 85%; 1,2-Dichloro-1,1,2-trifluoro-2-iodoethane

Database IDs

• CAS Number: 354-61-0
• MDL Number: MFCD00039402
• PubChem SID: 160972243
• PubChem CID: 78981

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.7627
• Log P: 2.7627
• Molar Refractivity: 35.5972 cm^3
• Polarizability: 13.832717 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7627

PROPERTIES

Physical Property

• Boiling Point: 100°C
• Density: 2.2
• Refractive Index: 1.449

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC2550

90%(min) CCl2CClFI: 10%(max) CF2ICCI2F