4-(bromozincio)butanenitrile

• ChemBase ID: 147810
• Molecular Formular: C4H6BrNZn
• Molecular Mass: 213.38114
• Monoisotopic Mass: 210.8975032
• SMILES: C(CC#N)C[Zn]Br
• Canonical SMILES: Br[Zn]CCCC#N
• InChI: InChI=1S/C4H6N.BrH.Zn/c1-2-3-4-5;;/h1-3H2;1H;/q;;+1/p-1
• InChIKey: SVLHKRYCNAAASX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromozincio)butanenitrile
• IUPAC Traditional name: 4-(bromozincio)butanenitrile
• Synonyms: 3-Cyanopropylzinc bromide solution; 3-氰基丙基溴化锌 溶液

Database IDs

• CAS Number: 135579-85-0
• MDL Number: MFCD00671975
• PubChem SID: 162241993; 24873158
• PubChem CID: 4129356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.3933
• LogD (pH = 7.4): 0.3933
• Log P: 0.3933
• Molar Refractivity: 29.0058 cm^3
• Polarizability: 14.32852 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.981 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: 14-19-22-36/37/38-40
• Safety Statements: 16-26-33-36/37/39-43.11-45
• 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)3ZnBr

DETAILS

Sigma Aldrich - 497967

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