7-(bromozincio)heptanenitrile

• ChemBase ID: 148492
• Molecular Formular: C7H12BrNZn
• Molecular Mass: 255.46088
• Monoisotopic Mass: 252.94445339
• SMILES: C(CCC[Zn]Br)CCC#N
• Canonical SMILES: Br[Zn]CCCCCCC#N
• InChI: InChI=1S/C7H12N.BrH.Zn/c1-2-3-4-5-6-7-8;;/h1-6H2;1H;/q;;+1/p-1
• InChIKey: YDXOVAJDARDUOR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(bromozincio)heptanenitrile
• IUPAC Traditional name: 7-(bromozincio)heptanenitrile
• Synonyms: 6-Cyanohexylzinc bromide solution; 6-氰己基溴化锌 溶液

Database IDs

• CAS Number: 312624-28-5
• EC Number: 203-726-8
• MDL Number: MFCD01316997
• PubChem SID: 162242667; 24873155
• PubChem CID: 5240475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5822
• LogD (pH = 7.4): 1.5822
• Log P: 1.5822
• Molar Refractivity: 42.8088 cm^3
• Polarizability: 19.652584 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.944 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 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 2056 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: NC(CH2)6ZnBr

DETAILS

Sigma Aldrich - 497924

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