5-(bromozincio)pentanenitrile

• ChemBase ID: 147962
• Molecular Formular: C5H8BrNZn
• Molecular Mass: 227.40772
• Monoisotopic Mass: 224.91315326
• SMILES: C(CC[Zn]Br)CC#N
• Canonical SMILES: Br[Zn]CCCCC#N
• InChI: InChI=1S/C5H8N.BrH.Zn/c1-2-3-4-5-6;;/h1-4H2;1H;/q;;+1/p-1
• InChIKey: HJYQQTDSYHJSLL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromozincio)pentanenitrile
• IUPAC Traditional name: 5-(bromozincio)pentanenitrile
• Synonyms: 4-Cyanobutylzinc bromide solution; 4-氰基丁基溴化锌 溶液

Database IDs

• CAS Number: 226570-68-9
• MDL Number: MFCD01316996
• PubChem SID: 162242143; 24873153
• PubChem CID: 4398342

CALCULATED PROPERTIES

• Molar Refractivity: 33.6068 cm^3
• Polarizability: 16.092684 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7896
• LogD (pH = 7.4): 0.7896
• Log P: 0.7896

PROPERTIES

Physical Property

• Density: 0.971 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14-19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 3399 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: NC(CH2)4ZnBr

DETAILS

Sigma Aldrich - 497894

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