iodo(4-pentylphenyl)zinc

• ChemBase ID: 137918
• Molecular Formular: C11H15IZn
• Molecular Mass: 339.52127
• Monoisotopic Mass: 337.95099048
• SMILES: CCCCCc1ccc(cc1)[Zn]I
• Canonical SMILES: CCCCCc1ccc(cc1)[Zn]I
• InChI: InChI=1S/C11H15.HI.Zn/c1-2-3-5-8-11-9-6-4-7-10-11;;/h6-7,9-10H,2-3,5,8H2,1H3;1H;/q;;+1/p-1
• InChIKey: CRILLGOAMPGYDP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(4-pentylphenyl)zinc
• IUPAC Traditional name: iodo(4-pentylphenyl)zinc
• Synonyms: 4-Pentylphenylzinc iodide solution; 4-戊基苯基碘化锌 溶液

Database IDs

• CAS Number: 308796-05-6
• MDL Number: MFCD01311391
• PubChem SID: 24873253; 162232178
• PubChem CID: 4148963

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2432
• LogD (pH = 7.4): 4.2432
• Log P: 4.2432
• Molar Refractivity: 62.2603 cm^3
• Polarizability: 27.66905 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 0.99 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 14-19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3(CH2)4C6H4Znl