chloro[(6-chloropyridin-3-yl)methyl]zinc

• ChemBase ID: 149138
• Molecular Formular: C6H5Cl2NZn
• Molecular Mass: 227.3966
• Monoisotopic Mass: 224.90904653
• SMILES: c1cc(ncc1C[Zn]Cl)Cl
• Canonical SMILES: Cl[Zn]Cc1ccc(nc1)Cl
• InChI: InChI=1S/C6H5ClN.ClH.Zn/c1-5-2-3-6(7)8-4-5;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: LZKBDZYNYMRVHH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(6-chloropyridin-3-yl)methyl]zinc
• IUPAC Traditional name: chloro[(6-chloropyridin-3-yl)methyl]zinc
• Synonyms: (2-Chloro-5-pyridyl)methylzinc chloride solution; (2-氯-5-吡啶基)甲基氯化锌 溶液

Database IDs

• CAS Number: 352530-36-0
• MDL Number: MFCD02260166
• PubChem SID: 24877966; 162243306
• PubChem CID: 16216967

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6337862
• LogD (pH = 7.4): 1.6337998
• Log P: 1.6338
• Molar Refractivity: 40.2104 cm^3
• Polarizability: 18.49604 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.992 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-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): C6H5Cl2NZn

DETAILS

Sigma Aldrich - 533475

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