dicyclohexylzinc

• ChemBase ID: 136289
• Molecular Formular: C12H22Zn
• Molecular Mass: 231.68308
• Monoisotopic Mass: 230.1012927
• SMILES: C1CCC(CC1)[Zn]C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[Zn]C1CCCCC1
• InChI: InChI=1S/2C6H11.Zn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2
• InChIKey: NFBPCQSTZITERU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexylzinc
• IUPAC Traditional name: dicyclohexylzinc
• Synonyms: Dicyclohexylzinc solution; 二环己基锌 溶液

Database IDs

• CAS Number: 15658-08-9
• MDL Number: MFCD16878978
• PubChem SID: 162230559
• PubChem CID: 544027

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3818
• LogD (pH = 7.4): 3.3818
• Log P: 3.3818
• Molar Refractivity: 53.3234 cm^3
• Polarizability: 24.622787 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -22 °F; -30 °C
• Density: 0.756 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 14-19-22-34-67
• Safety Statements: 26-36/37/39-43.4-45
• RID/ADR: UN 2924 3/PG 1

Product Information

• Concentration: 0.4 M in diethyl ether
• Empirical Formula (Hill Notation): C12H22Zn

DETAILS

Sigma Aldrich - 718009

Packaging
10, 25 mL in Sure/Seal™