bromo(2-methylpropyl)zinc

• ChemBase ID: 148880
• Molecular Formular: C4H9BrZn
• Molecular Mass: 202.39826
• Monoisotopic Mass: 199.91790429
• SMILES: CC(C)C[Zn]Br
• Canonical SMILES: Br[Zn]CC(C)C
• InChI: InChI=1S/C4H9.BrH.Zn/c1-4(2)3;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: WYBHVVXVUCUWSE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methylpropyl)zinc
• IUPAC Traditional name: bromo(2-methylpropyl)zinc
• Synonyms: Isobutylzinc bromide solution; 异丁基溴化锌 溶液

Database IDs

• CAS Number: 126403-67-6
• MDL Number: MFCD00671802
• PubChem SID: 24873242; 162243052
• PubChem CID: 3564544

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7949
• LogD (pH = 7.4): 1.7949
• Log P: 1.7949
• Molar Refractivity: 28.2317 cm^3
• Polarizability: 14.344663 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: 0.943 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-19-36/37
• Safety Statements: 16-26-43
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H315-H319-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P305 + P351 + P338-P422
• 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)2CHCH2ZnBr

DETAILS

Sigma Aldrich - 498963

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