bromo(6-methoxypyridin-2-yl)zinc

• ChemBase ID: 147617
• Molecular Formular: C6H6BrNOZn
• Molecular Mass: 253.40194
• Monoisotopic Mass: 250.89241782
• SMILES: COc1cccc(n1)[Zn]Br
• Canonical SMILES: COc1cccc(n1)[Zn]Br
• InChI: InChI=1S/C6H6NO.BrH.Zn/c1-8-6-4-2-3-5-7-6;;/h2-4H,1H3;1H;/q;;+1/p-1
• InChIKey: ZBOXWWBULRVFBQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(6-methoxypyridin-2-yl)zinc
• IUPAC Traditional name: bromo(6-methoxypyridin-2-yl)zinc
• Synonyms: 6-Methoxy-2-pyridylzinc bromide solution; 6-甲氧基-2-吡啶基溴化锌 溶液

Database IDs

• CAS Number: 352530-39-3
• MDL Number: MFCD02260167
• PubChem SID: 24877988; 162241804
• PubChem CID: 16216977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.020881
• LogD (pH = 7.4): 2.0248492
• Log P: 2.0249
• Molar Refractivity: 39.1428 cm^3
• Polarizability: 18.256405 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Density: 0.99 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 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 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C6H6BrNOZn

DETAILS

Sigma Aldrich - 533718

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