1-iodododecane

• ChemBase ID: 89191
• Molecular Formular: C12H25I
• Molecular Mass: 296.23137
• Monoisotopic Mass: 296.1000988
• SMILES: ICCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCI
• InChI: InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
• InChIKey: GCDPERPXPREHJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodododecane
• IUPAC Traditional name: 1-iodododecane
• Synonyms: 1-Iodododecane; Dodecyl iodide; 1-Iodododecane; n-Dodecyl iodide; Lauryl iodide; n-DODECYL IODIDE; 1-十吲哚酸; 1-碘十二烷

Database IDs

• CAS Number: 4292-19-7
• EC Number: 224-293-1
• MDL Number: MFCD00001088
• Beilstein Number: 1738943
• PubChem SID: 24854151; 162076074
• PubChem CID: 20282

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3322363
• LogD (pH = 7.4): 6.3322363
• Log P: 6.3322363
• Molar Refractivity: 70.2261 cm^3
• Polarizability: 27.64846 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -3 °C(lit.); -3°C; -4 - -3°C
• Boiling Point: 128-130°C/11mm; 159-160 °C/15 mmHg(lit.)
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.201; 1.201 g/mL at 25 °C(lit.)
• Refractive Index: 1.4844; n20/D 1.484(lit.)
• Hydrophobicity(logP): 7.285

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• 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%; 98%; 98%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: CH3(CH2)11I

DETAILS

MP Biomedicals - 05204480

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 238260

Packaging
25, 100 g in glass bottle