iodo[4-(morpholin-4-ylmethyl)phenyl]zinc

• ChemBase ID: 143332
• Molecular Formular: C11H14INOZn
• Molecular Mass: 368.51943
• Monoisotopic Mass: 366.94115407
• SMILES: c1cc(ccc1CN1CCOCC1)[Zn]I
• Canonical SMILES: I[Zn]c1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C11H14NO.HI.Zn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h2-5H,6-10H2;1H;/q;;+1/p-1
• InChIKey: GOBILRZIPCIKSR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo[4-(morpholin-4-ylmethyl)phenyl]zinc
• IUPAC Traditional name: iodo[4-(morpholin-4-ylmethyl)phenyl]zinc
• Synonyms: 4-[(4-Morpholino)methyl]phenylzinc iodide solution; 4-[(4-吗啉)甲基]苯基碘化锌 溶液

Database IDs

• MDL Number: MFCD07698720
• PubChem SID: 162237553
• PubChem CID: 24722638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2708707
• LogD (pH = 7.4): 1.7247658
• Log P: 1.7351
• Molar Refractivity: 66.4323 cm^3
• Polarizability: 29.338799 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -22 °F; -30 °C
• Density: 0.952 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-22-36/37/38
• Safety Statements: 16-29-33-36/37/39-45
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF
• Empirical Formula (Hill Notation): C11H14INOZn

DETAILS

Sigma Aldrich - 710296

Packaging
25 mL in Sure/Seal™