1-iodo-2-(2-iodoethoxy)ethane

• ChemBase ID: 78326
• Molecular Formular: C4H8I2O
• Molecular Mass: 325.91466
• Monoisotopic Mass: 325.86646088
• SMILES: O(CCI)CCI
• Canonical SMILES: ICCOCCI
• InChI: InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2
• InChIKey: XWYDQETVMJZUOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-(2-iodoethoxy)ethane
• IUPAC Traditional name: 1-iodo-2-(2-iodoethoxy)ethane
• Synonyms: Bis-(2-iodo-ethyl)ether; 1-Iodo-2-(2-iodo-ethoxy)-ethane; 1,5-Diiodo-3-oxopentane; 1,1'-Oxybis(2-iodoethane); Bis(2-iodoethyl)ether 97%; 2-Iodoethyl ether; 2-碘乙醚

Database IDs

• CAS Number: 34270-90-1
• MDL Number: MFCD00092250
• PubChem SID: 162043095; 24882756
• PubChem CID: 3430779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3732603
• LogD (pH = 7.4): 2.3732603
• Log P: 2.3732603
• Molar Refractivity: 48.4715 cm^3
• Polarizability: 19.419455 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Brown Oil
• Boiling Point: 103-106°C/2-3mmHg; 140-141 °C (dec.)(lit.); 140-141°C
• Flash Point: 186.8 °F; 86 °C; 86°C
• Density: 2.296; 2.296 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.6015(lit.)

Safety Information

• Storage Warning: Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41-43
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C4H8I2O

DETAILS

Sigma Aldrich - 636177

Packaging
1, 5 g in glass bottle