bromo(pyridin-2-yl)zinc

• ChemBase ID: 146631
• Molecular Formular: C5H4BrNZn
• Molecular Mass: 223.37596
• Monoisotopic Mass: 220.88185313
• SMILES: c1ccnc(c1)[Zn]Br
• Canonical SMILES: Br[Zn]c1ccccn1
• InChI: InChI=1S/C5H4N.BrH.Zn/c1-2-4-6-5-3-1;;/h1-4H;1H;/q;;+1/p-1
• InChIKey: XYTLXTHDABUPLT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pyridin-2-yl)zinc
• IUPAC Traditional name: bromo(pyridin-2-yl)zinc
• Synonyms: 2-Pyridylzinc bromide solution; 2-吡啶基溴化锌 溶液

Database IDs

• CAS Number: 218777-23-2
• MDL Number: MFCD00671985
• PubChem SID: 24873276; 162240825
• PubChem CID: 6414715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2687309
• LogD (pH = 7.4): 1.5732433
• Log P: 1.579
• Molar Refractivity: 32.3661 cm^3
• Polarizability: 15.6913 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.974 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 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
• Empirical Formula (Hill Notation): C5H4BrNZn

DETAILS

Sigma Aldrich - 499382

Application
Used in the preparation of P,N ligands for asymmetric Ir-catalyzed reactions.1
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.