1,2-diiodoethane

• ChemBase ID: 83410
• Molecular Formular: C2H4I2
• Molecular Mass: 281.8621
• Monoisotopic Mass: 281.84024613
• SMILES: ICCI
• Canonical SMILES: ICCI
• InChI: InChI=1S/C2H4I2/c3-1-2-4/h1-2H2
• InChIKey: GBBZLMLLFVFKJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diiodoethane
• IUPAC Traditional name: ethane, 1,2-diiodo-
• Synonyms: Ethylene iodide; 1,2-Diiodoethane; Ethylene diiodide; 1,2-Diiodoethane; 二碘化乙烯; 亚乙基二碘; 1,2-二碘乙烷; 1,2-二碘代乙烷

Database IDs

• CAS Number: 624-73-7
• EC Number: 210-859-5
• MDL Number: MFCD00001093
• Beilstein Number: 1730870
• PubChem SID: 162070528; 24893381
• PubChem CID: 12224

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4202356
• LogD (pH = 7.4): 2.4202356
• Log P: 2.4202356
• Molar Refractivity: 37.428 cm^3
• Polarizability: 15.138853 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82 °C(lit.); 80-82°C; 80-84°C
• Density: 2.130; 2.132; 2.132 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Air & Light Sensitive; Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 99%
• Linear Formula: ICH2CH2I

DETAILS

Sigma Aldrich - D122807

Packaging
25, 100 g in glass bottle

REFERENCES

• Source of positive iodine, for example in the formation of 2-iodoindole from lithiated indole-1-carbamate: J. Org. Chem., 57, 2495 (1992), and in the stereoselective formation of (Z)-2-iodoalk-2-enes from ?-oxido phosphonium ylides: J. Chem. Soc., Perkin 1, 1331 (1995).