1,8-diiodooctane

• ChemBase ID: 111763
• Molecular Formular: C8H16I2
• Molecular Mass: 366.02158
• Monoisotopic Mass: 365.93414651
• SMILES: ICCCCCCCCI
• Canonical SMILES: ICCCCCCCCI
• InChI: InChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
• InChIKey: KZDTZHQLABJVLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-diiodooctane
• IUPAC Traditional name: 1,8-diiodooctane
• Synonyms: 1,8-DIIODOOCTANE; Octamethylene diiodide; 1,8-Diiodooctane; 亚辛基二碘化物; 1,8-二碘辛烷

Database IDs

• CAS Number: 24772-63-2
• EC Number: 246-456-6
• MDL Number: MFCD00001106
• Beilstein Number: 1735437
• PubChem SID: 24855049; 162096744
• PubChem CID: 90605

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0876474
• LogD (pH = 7.4): 5.0876474
• Log P: 5.0876474
• Molar Refractivity: 65.034 cm^3
• Polarizability: 25.653502 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 167-169 °C/6 mmHg(lit.); 167-169°C/6mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.84 g/mL at 25 °C(lit.); 1.840
• Refractive Index: 1.5635; n20/D 1.564; n20/D 1.5653(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%; 98%, stab. with copper
• Grade: purum
• Contains: copper as stabilizer
• Linear Formula: I(CH2)8I

DETAILS

MP Biomedicals - 05220833

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 250295

Packaging
5 g in glass bottle