1,1-diiodoethane

• ChemBase ID: 143456
• Molecular Formular: C2H4I2
• Molecular Mass: 281.8621
• Monoisotopic Mass: 281.84024613
• SMILES: CC(I)I
• Canonical SMILES: CC(I)I
• InChI: InChI=1S/C2H4I2/c1-2(3)4/h2H,1H3
• InChIKey: JNVXRQOSRUDXDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diiodoethane
• IUPAC Traditional name: 1,1-diiodoethane
• Synonyms: Ethylidene iodide; 1,1-Diiodoethane

Database IDs

• CAS Number: 594-02-5
• EC Number: 209-821-0
• MDL Number: MFCD00015747
• Beilstein Number: 1730848
• PubChem SID: 162237675
• PubChem CID: 68980

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6836455
• LogD (pH = 7.4): 2.6836455
• Log P: 2.6836455
• Molar Refractivity: 37.0128 cm^3
• Polarizability: 15.1565275 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC)
• Linear Formula: CH3CHI2