bromo(tert-butyl)zinc

• ChemBase ID: 149199
• Molecular Formular: C4H9BrZn
• Molecular Mass: 202.39826
• Monoisotopic Mass: 199.91790429
• SMILES: CC(C)(C)[Zn]Br
• Canonical SMILES: Br[Zn]C(C)(C)C
• InChI: InChI=1S/C4H9.BrH.Zn/c1-4(2)3;;/h1-3H3;1H;/q;;+1/p-1
• InChIKey: BWEAWEFMOSRWQF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(tert-butyl)zinc
• IUPAC Traditional name: bromo(tert-butyl)zinc
• Synonyms: tert-Butylzinc bromide solution; 叔丁基溴化锌 溶液

Database IDs

• CAS Number: 7565-59-5
• MDL Number: MFCD00671989
• PubChem SID: 24873141; 162243367
• PubChem CID: 4616895

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3444
• LogD (pH = 7.4): 1.3444
• Log P: 1.3444
• Molar Refractivity: 28.2375 cm^3
• Polarizability: 14.344899 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.966 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 19-36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/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)3CZnBr

DETAILS

Sigma Aldrich - 497754

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