3-(bromozincio)propanenitrile

• ChemBase ID: 148254
• Molecular Formular: C3H4BrNZn
• Molecular Mass: 199.35456
• Monoisotopic Mass: 196.88185313
• SMILES: C(C[Zn]Br)C#N
• Canonical SMILES: Br[Zn]CCC#N
• InChI: InChI=1S/C3H4N.BrH.Zn/c1-2-3-4;;/h1-2H2;1H;/q;;+1/p-1
• InChIKey: ORVPRNKQWGHTKP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromozincio)propanenitrile
• IUPAC Traditional name: 3-(bromozincio)propanenitrile
• Synonyms: 2-Cyanoethylzinc bromide solution; 2-氰乙基溴化锌 溶液

Database IDs

• CAS Number: 312624-26-3
• MDL Number: MFCD00671974
• PubChem SID: 24873154; 162242430
• PubChem CID: 4108069

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.1416
• LogD (pH = 7.4): 0.1416
• Log P: 0.1416
• Molar Refractivity: 24.2508 cm^3
• Polarizability: 12.578477 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.955 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-22-36/37/38-40
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: NCCH2CH2ZnBr

DETAILS

Sigma Aldrich - 497908

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