benzyl(bromo)zinc

• ChemBase ID: 150239
• Molecular Formular: C7H7BrZn
• Molecular Mass: 236.41448
• Monoisotopic Mass: 233.90225422
• SMILES: c1ccc(cc1)C[Zn]Br
• Canonical SMILES: Br[Zn]Cc1ccccc1
• InChI: InChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1
• InChIKey: OQPRTUBCROVGHA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(bromo)zinc
• IUPAC Traditional name: benzyl(bromo)zinc
• Synonyms: Benzylzinc bromide solution; 苯甲基溴化锌 溶液

Database IDs

• CAS Number: 62673-31-8
• MDL Number: MFCD00671803
• PubChem SID: 162244400; 24873123
• PubChem CID: 4443518

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3576
• LogD (pH = 7.4): 2.3576
• Log P: 2.3576
• Molar Refractivity: 39.1001 cm^3
• Polarizability: 18.246508 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: 0.978 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: C6H5CH2ZnBr

DETAILS

Sigma Aldrich - 497517

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