bromo(heptyl)zinc

• ChemBase ID: 149579
• Molecular Formular: C7H15BrZn
• Molecular Mass: 244.478
• Monoisotopic Mass: 241.96485448
• SMILES: CCCCCCC[Zn]Br
• Canonical SMILES: CCCCCCC[Zn]Br
• InChI: InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q;;+1/p-1
• InChIKey: VXDZQIGAXDFZGH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(heptyl)zinc
• IUPAC Traditional name: bromo(heptyl)zinc
• Synonyms: Heptylzinc bromide solution; 庚锌溴 溶液

Database IDs

• CAS Number: 7608-06-2
• MDL Number: MFCD02260126
• PubChem SID: 162243742; 24877950
• PubChem CID: 24722606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9773
• LogD (pH = 7.4): 2.9773
• Log P: 2.9773
• Molar Refractivity: 42.1641 cm^3
• Polarizability: 19.700968 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.965 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: CH3(CH2)6ZnBr

DETAILS

Sigma Aldrich - 533270

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