1-chloro-6-iodohexane

• ChemBase ID: 147024
• Molecular Formular: C6H12ClI
• Molecular Mass: 246.51695
• Monoisotopic Mass: 245.96722606
• SMILES: C(CCCI)CCCl
• Canonical SMILES: ClCCCCCCI
• InChI: InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2
• InChIKey: QTJHNJCILMMRIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-6-iodohexane
• IUPAC Traditional name: 1-chloro-6-iodohexane
• Synonyms: 1-Chloro-6-iodohexane; Hexamethylene chloroiodide; 1-氯-6-碘己烷

Database IDs

• CAS Number: 34683-73-3
• EC Number: 252-144-0
• MDL Number: MFCD00039417
• Beilstein Number: 1732408
• PubChem SID: 24874214; 162241216
• PubChem CID: 118713

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5827374
• LogD (pH = 7.4): 3.5827374
• Log P: 3.5827374
• Molar Refractivity: 47.5998 cm^3
• Polarizability: 18.695223 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110 °C(lit.)
• Density: 1.623 g/mL at 25 °C(lit.)
• Refractive Index: 1.5250; n20/D 1.5230(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: 26-36; 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: 96%; 97%
• Linear Formula: I(CH2)6Cl

DETAILS

Sigma Aldrich - 521582

Packaging
10 g in glass bottle