bromo(cyclopropyl)zinc

• ChemBase ID: 140853
• Molecular Formular: C3H5BrZn
• Molecular Mass: 186.3558
• Monoisotopic Mass: 183.88660416
• SMILES: C1CC1[Zn]Br
• Canonical SMILES: Br[Zn]C1CC1
• InChI: InChI=1S/C3H5.BrH.Zn/c1-2-3-1;;/h1H,2-3H2;1H;/q;;+1/p-1
• InChIKey: DUXRKEPSNWXJGV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclopropyl)zinc
• IUPAC Traditional name: bromo(cyclopropyl)zinc
• Synonyms: Cyclopropylzinc bromide solution; Cyclopropylzinc bromide, 0.5M in THF; 环丙基溴化锌 溶液

Database IDs

• CAS Number: 126403-68-7
• MDL Number: MFCD08741505
• PubChem SID: 162235091
• PubChem CID: 14472682

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.942
• LogD (pH = 7.4): 0.942
• Log P: 0.942
• Molar Refractivity: 21.6709 cm^3
• Polarizability: 11.924564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.969; 0.969 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 3399; UN3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2; II
• Risk Statements: 11-14-19-36/37/38; 11-15-19-34-37
• Safety Statements: 16-26; 8-16-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H351-H335; H225-H302-H314-H335-H336
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• 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): C3H5BrZn

DETAILS

Sigma Aldrich - 680982

Application
Active nucleophile in Pd-catalyzed cross-coupling of heteroaryl halides.1
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.