1,10-diiododecane

• ChemBase ID: 91057
• Molecular Formular: C10H20I2
• Molecular Mass: 394.07474
• Monoisotopic Mass: 393.96544664
• SMILES: ICCCCCCCCCCI
• Canonical SMILES: ICCCCCCCCCCI
• InChI: InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
• InChIKey: CKJCTZAIDVFHCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-diiododecane
• IUPAC Traditional name: 1,10-diiododecane
• Synonyms: 1,10-Diiododecane; Decamethylene diiodide; 1,10-Diiododecane 98%; 1,10-Diiododecane; 双碘癸烷; 1,10-二碘癸烷

Database IDs

• CAS Number: 16355-92-3
• EC Number: 240-415-6
• MDL Number: MFCD00001086
• Beilstein Number: 1738614
• PubChem SID: 24855048; 162077761
• PubChem CID: 85378

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.976785
• LogD (pH = 7.4): 5.976785
• Log P: 5.976785
• Molar Refractivity: 74.236 cm^3
• Polarizability: 29.22371 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 28-32°C; 33-35 °C(lit.); 33-35°C
• Boiling Point: 197-200 °C/12 mmHg(lit.); 197-200°C/12mm; 197-200°C/12mm
• Flash Point: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• Density: 2.350

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: I(CH2)10I

DETAILS

Sigma Aldrich - 250287

Packaging
25 g in glass bottle