bromo(cyclobutyl)zinc

• ChemBase ID: 143409
• Molecular Formular: C4H7BrZn
• Molecular Mass: 200.38238
• Monoisotopic Mass: 197.90225422
• SMILES: C1CC(C1)[Zn]Br
• Canonical SMILES: Br[Zn]C1CCC1
• InChI: InChI=1S/C4H7.BrH.Zn/c1-2-4-3-1;;/h1H,2-4H2;1H;/q;;+1/p-1
• InChIKey: BBKCOQYMKGEAAJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclobutyl)zinc
• IUPAC Traditional name: bromo(cyclobutyl)zinc
• Synonyms: Cyclobutylzinc bromide, 0.5M in THF; Cyclobutylzinc bromide; 环丁基溴化锌

Database IDs

• MDL Number: MFCD09801445
• PubChem SID: 162237629
• PubChem CID: 24722675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3383
• LogD (pH = 7.4): 1.3383
• Log P: 1.3383
• Molar Refractivity: 26.2719 cm^3
• Polarizability: 13.678978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.984; 0.984 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-36/37
• Safety Statements: 16-26-29-33-36; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Hazard statements: H225-H261-H314-H351-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Empirical Formula (Hill Notation): C4H7BrZn

DETAILS

Sigma Aldrich - 710318

Packaging
25 mL in Sure/Seal™