bromo(heptan-4-yl)zinc

• ChemBase ID: 150516
• Molecular Formular: C7H15BrZn
• Molecular Mass: 244.478
• Monoisotopic Mass: 241.96485448
• SMILES: CCCC(CCC)[Zn]Br
• Canonical SMILES: CCCC(CCC)[Zn]Br
• InChI: InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h7H,3-6H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: GQRLCMWPERMSRC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(heptan-4-yl)zinc
• IUPAC Traditional name: bromo(heptan-4-yl)zinc
• Synonyms: 4-Heptylzinc bromide; 1-Propylbutylzinc bromide solution; 4-庚基溴化锌; 1-丙基丁基溴化锌 溶液

Database IDs

• CAS Number: 312693-12-2
• EC Number: 203-726-8
• MDL Number: MFCD01311414
• PubChem SID: 162244677; 24873218
• PubChem CID: 4608375

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0312
• LogD (pH = 7.4): 3.0312
• Log P: 3.0312
• Molar Refractivity: 41.8771 cm^3
• Polarizability: 19.7011 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °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: (CH3CH2CH2)2CHZnBr

DETAILS

Sigma Aldrich - 498726

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