chloro[(2,6-dichlorophenyl)methyl]zinc

• ChemBase ID: 150080
• Molecular Formular: C7H5Cl3Zn
• Molecular Mass: 260.8536
• Monoisotopic Mass: 257.8748252
• SMILES: c1cc(c(c(c1)Cl)C[Zn]Cl)Cl
• Canonical SMILES: Cl[Zn]Cc1c(Cl)cccc1Cl
• InChI: InChI=1S/C7H5Cl2.ClH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: NEPYXTRQHMZQAE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2,6-dichlorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2,6-dichlorophenyl)methyl]zinc
• Synonyms: 2,6-Dichlorobenzylzinc chloride solution; 2,6-二氯苄基氯化锌 溶液

Database IDs

• CAS Number: 307531-80-2
• MDL Number: MFCD02260134
• PubChem SID: 162244242; 24877956
• PubChem CID: 24722608

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.093
• LogD (pH = 7.4): 3.093
• Log P: 3.093
• Molar Refractivity: 46.1108 cm^3
• Polarizability: 21.226128 Å^3
• Polar Surface Area: 0.0 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: 0.991 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
• Linear Formula: Cl2C6H3CH2ZnCl

DETAILS

Sigma Aldrich - 533351

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