bromo(cyclohexylmethyl)zinc

• ChemBase ID: 147598
• Molecular Formular: C7H13BrZn
• Molecular Mass: 242.46212
• Monoisotopic Mass: 239.94920442
• SMILES: C1CCC(CC1)C[Zn]Br
• Canonical SMILES: Br[Zn]CC1CCCCC1
• InChI: InChI=1S/C7H13.BrH.Zn/c1-7-5-3-2-4-6-7;;/h7H,1-6H2;1H;/q;;+1/p-1
• InChIKey: AFAHTKUMDFNGMW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclohexylmethyl)zinc
• IUPAC Traditional name: bromo(cyclohexylmethyl)zinc
• Synonyms: (Cyclohexylmethyl)zinc bromide solution; (Cyclohexylmethyl)zinc bromide, 0.5M in THF; (环己基甲基)溴化锌 溶液

Database IDs

• CAS Number: 135579-86-1
• EC Number: 203-726-8
• MDL Number: MFCD01311418
• PubChem SID: 24873164; 162241785
• PubChem CID: 4486981

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4798
• LogD (pH = 7.4): 2.4798
• Log P: 2.4798
• Molar Refractivity: 40.2325 cm^3
• Polarizability: 19.016195 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.972; 0.972 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: 16-29-33; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H351-H335; H225-H319-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A; 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; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: C6H11CH2ZnBr

DETAILS

Sigma Aldrich - 498025

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