iodocyclohexane

• ChemBase ID: 107569
• Molecular Formular: C6H11I
• Molecular Mass: 210.05601
• Monoisotopic Mass: 209.99054835
• SMILES: IC1CCCCC1
• Canonical SMILES: IC1CCCCC1
• InChI: InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: FUCOMWZKWIEKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodocyclohexane
• IUPAC Traditional name: cyclohexane, iodo-
• Synonyms: CYCLOHEXYL IODIDE; Cyclohexyl iodide; Iodocyclohexane; 环己基碘; 碘环己烷

Database IDs

• CAS Number: 626-62-0
• EC Number: 210-957-8
• MDL Number: MFCD00003826
• Beilstein Number: 1900797
• PubChem SID: 162093254; 24854149
• PubChem CID: 12289

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1472805
• LogD (pH = 7.4): 3.1472805
• Log P: 3.1472805
• Molar Refractivity: 40.6079 cm^3
• Polarizability: 16.066149 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 180°C; 80-81 °C/20 mmHg(lit.)
• Flash Point: 158 °F; 70 °C; 71°C(159°F)
• Density: 1.624 g/mL at 25 °C(lit.); 1.625
• Refractive Index: 1.5475; n20/D 1.5441(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98%, stab. with copper
• Contains: copper as stabilizer
• Empirical Formula (Hill Notation): C6H11I

DETAILS

MP Biomedicals - 05204208

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 238244

Packaging
25, 100 g in glass bottle