[(4-bromophenyl)methyl](chloro)zinc

• ChemBase ID: 141870
• Molecular Formular: C7H6BrClZn
• Molecular Mass: 270.85954
• Monoisotopic Mass: 267.86328187
• SMILES: c1cc(ccc1C[Zn]Cl)Br
• Canonical SMILES: Cl[Zn]Cc1ccc(cc1)Br
• InChI: InChI=1S/C7H6Br.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: LEARWJZVYWMDMA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromophenyl)methyl](chloro)zinc
• IUPAC Traditional name: [(4-bromophenyl)methyl](chloro)zinc
• Synonyms: 4-Bromobenzylzinc chloride solution; 4-溴苄基氯化锌 溶液

Database IDs

• MDL Number: MFCD08276979
• PubChem SID: 24873124; 162236103
• PubChem CID: 12177815

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8488
• LogD (pH = 7.4): 2.8488
• Log P: 2.8488
• Molar Refractivity: 44.124 cm^3
• Polarizability: 20.3109 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.015 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: BrC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 497541

Packaging
100 mL in Sure/Seal™