1-iodoundecane

• ChemBase ID: 89192
• Molecular Formular: C11H23I
• Molecular Mass: 282.20479
• Monoisotopic Mass: 282.08444874
• SMILES: ICCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCI
• InChI: InChI=1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
• InChIKey: FKUQOQPBCHJHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodoundecane
• IUPAC Traditional name: 1-iodoundecane
• Synonyms: 1-Iodoundecane; 1-Iodoundecane; Undecyl Iodide; 1-碘十一烷

Database IDs

• CAS Number: 4282-44-4
• MDL Number: MFCD00001087
• PubChem SID: 162076075; 24856923
• PubChem CID: 20276

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8876677
• LogD (pH = 7.4): 5.8876677
• Log P: 5.8876677
• Molar Refractivity: 65.6251 cm^3
• Polarizability: 25.823547 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 125-130 °C/5 mmHg(lit.); 125-130@5°C
• Flash Point: 113 °C; 113°C; 235.4 °F
• Density: 1.22; 1.22 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4849(lit.)

Safety Information

• Storage Warning: Irritant/Light Sensitive
• 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: 98%
• Linear Formula: CH3(CH2)10I

DETAILS

Sigma Aldrich - 280046

Packaging
50 g in glass bottle