chloro({[5-(ethoxycarbonyl)furan-2-yl]methyl})zinc

• ChemBase ID: 148538
• Molecular Formular: C8H9ClO3Zn
• Molecular Mass: 253.98826
• Monoisotopic Mass: 251.95316383
• SMILES: CCOC(=O)c1ccc(o1)C[Zn]Cl
• Canonical SMILES: CCOC(=O)c1ccc(o1)C[Zn]Cl
• InChI: InChI=1S/C8H9O3.ClH.Zn/c1-3-10-8(9)7-5-4-6(2)11-7;;/h4-5H,2-3H2,1H3;1H;/q;;+1/p-1
• InChIKey: PJHDOQKNORSQBF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro({[5-(ethoxycarbonyl)furan-2-yl]methyl})zinc
• IUPAC Traditional name: chloro({[5-(ethoxycarbonyl)furan-2-yl]methyl})zinc
• Synonyms: [[5-(Ethoxycarbonyl)-2-furanyl]methyl]zinc chloride; 5-Ethoxycarbonyl-2-fufurylzinc chloride solution; [5-(乙氧基羰基)-2-呋喃甲基]氯化锌; 5-乙氧基羰基-2-糠基氯化锌 溶液

Database IDs

• CAS Number: 352530-38-2
• MDL Number: MFCD03093922
• PubChem SID: 162242713; 24877972
• PubChem CID: 24722624

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0601
• LogD (pH = 7.4): 1.0601
• Log P: 1.0601
• Molar Refractivity: 45.6539 cm^3
• Polarizability: 20.694696 Å^3
• Polar Surface Area: 39.44 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: 0.952 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: 11-19-22-36/37/38
• Safety Statements: 16-26-33-36/37
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C8H9ClO3Zn

DETAILS

Sigma Aldrich - 533564

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® metals, Inc. ®Registered trademark of Rieke Metals, Inc.