ethyl 3-(bromozincio)propanoate

• ChemBase ID: 151181
• Molecular Formular: C5H9BrO2Zn
• Molecular Mass: 246.40776
• Monoisotopic Mass: 243.90773353
• SMILES: CCOC(=O)CC[Zn]Br
• Canonical SMILES: CCOC(=O)CC[Zn]Br
• InChI: InChI=1S/C5H9O2.BrH.Zn/c1-3-5(6)7-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1
• InChIKey: XLKAROLEWCMBDC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(bromozincio)propanoate
• IUPAC Traditional name: ethyl 3-(bromozincio)propanoate
• Synonyms: 3-Ethoxy-3-oxopropylzinc bromide solution; 3-乙氧基-3-氧丙基溴化锌 溶液

Database IDs

• CAS Number: 193065-68-8
• MDL Number: MFCD00671976
• PubChem SID: 162245338; 24873205
• PubChem CID: 3332879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6783
• LogD (pH = 7.4): 0.6783
• Log P: 0.6783
• Molar Refractivity: 34.7892 cm^3
• Polarizability: 17.147362 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.972 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 19-36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C2H5O2CCH2CH2ZnBr

DETAILS

Sigma Aldrich - 498521

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.