bromo(3-methylbutyl)zinc

• ChemBase ID: 149217
• Molecular Formular: C5H11BrZn
• Molecular Mass: 216.42484
• Monoisotopic Mass: 213.93355435
• SMILES: CC(C)CC[Zn]Br
• Canonical SMILES: Br[Zn]CCC(C)C
• InChI: InChI=1S/C5H11.BrH.Zn/c1-4-5(2)3;;/h5H,1,4H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: NCVCJECJAXGYFE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-methylbutyl)zinc
• IUPAC Traditional name: bromo(3-methylbutyl)zinc
• Synonyms: 3-Methylbutylzinc bromide solution; 3-甲基丁基溴化锌 溶液

Database IDs

• CAS Number: 92274-43-6
• EC Number: 203-726-8
• MDL Number: MFCD01311390
• PubChem SID: 162243385; 24873235
• PubChem CID: 4414674

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1189
• LogD (pH = 7.4): 2.1189
• Log P: 2.1189
• Molar Refractivity: 32.9097 cm^3
• Polarizability: 16.120796 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.97 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: 11-19-36/37
• Safety Statements: 16-29-33
• 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 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)2CHCH2CH2ZnBr

DETAILS

Sigma Aldrich - 498890

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