1-iodo-2-[2-(2-iodoethoxy)ethoxy]ethane

• ChemBase ID: 145442
• Molecular Formular: C6H12I2O2
• Molecular Mass: 369.96722
• Monoisotopic Mass: 369.89267562
• SMILES: C(COCCI)OCCI
• Canonical SMILES: ICCOCCOCCI
• InChI: InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
• InChIKey: BCAGFJXMCZSAHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-[2-(2-iodoethoxy)ethoxy]ethane
• IUPAC Traditional name: 1-iodo-2-[2-(2-iodoethoxy)ethoxy]ethane
• Synonyms: 1,2-Bis(2-iodoethoxy)ethane; 1,2-双(2-碘乙氧基)乙烷

Database IDs

• CAS Number: 36839-55-1
• MDL Number: MFCD00075008
• PubChem SID: 24860131; 162239648
• PubChem CID: 593436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3262846
• LogD (pH = 7.4): 2.3262846
• Log P: 2.3262846
• Molar Refractivity: 59.515 cm^3
• Polarizability: 23.730307 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 2.028 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.572(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%
• Linear Formula: ICH2CH2OCH2CH2OCH2CH2I

DETAILS

Sigma Aldrich - 333433

Packaging
5 g in glass bottle