1,6-diiodohexane

• ChemBase ID: 87560
• Molecular Formular: C6H12I2
• Molecular Mass: 337.96842
• Monoisotopic Mass: 337.90284638
• SMILES: ICCCCCCI
• Canonical SMILES: ICCCCCCI
• InChI: InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
• InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-diiodohexane
• IUPAC Traditional name: hexane, 1,6-diiodo-
• Synonyms: 1,6-DIIODOHEXANE; Hexamethylene diiodide; 1,6-Diiodohexane 98%; 1,6-Diiodohexane; 1,6-二碘己烷

Database IDs

• CAS Number: 629-09-4
• EC Number: 211-073-5
• MDL Number: MFCD00001103
• Beilstein Number: 1280128
• PubChem SID: 162074600; 24855114
• PubChem CID: 12373

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.19851
• LogD (pH = 7.4): 4.19851
• Log P: 4.19851
• Molar Refractivity: 55.832 cm^3
• Polarizability: 22.109035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 9 - 10°C; 9-10 °C(lit.); 9-10°C
• Boiling Point: 123-128°C/4mm; 141-142 °C/10 mmHg(lit.); 141-142°C/10mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 2.05 g/mL at 25 °C(lit.); 2.052
• Refractive Index: 1.5852; n20/D 1.5852(lit.)
• Hydrophobicity(logP): 4.354

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold/Store under Argon; Light Sensitive
• RTECS: MO1700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-37; 26-37/39
• 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: 95%; 97%; 98%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: I(CH2)6I

DETAILS

MP Biomedicals - 05213028

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR3172

Stabilised with copper

Sigma Aldrich - 251178

Packaging
25 g in glass bottle