bromo(3R,5S,7s)-adamantan-1-ylzinc

• ChemBase ID: 149850
• Molecular Formular: C10H15BrZn
• Molecular Mass: 280.5101
• Monoisotopic Mass: 277.96485448
• SMILES: C1[C@@H]2C[C@]3(C[C@@H](C2)C[C@@H]1C3)[Zn]Br
• Canonical SMILES: Br[Zn][C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
• InChI: InChI=1S/C10H15.BrH.Zn/c1-7-2-9-4-8(1)5-10(3-7)6-9;;/h7-9H,1-6H2;1H;/q;;+1/p-1/t7-,8+,9-
• InChIKey: PUGQCSQHCXILTB-IQJVJNHNSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3R,5S,7s)-adamantan-1-ylzinc
• IUPAC Traditional name: bromo(3R,5S,7s)-adamantan-1-ylzinc
• Synonyms: 1-Adamantylzinc bromide solution; 1-金刚烷溴化锌 溶液

Database IDs

• CAS Number: 312624-15-0
• MDL Number: MFCD00671988
• PubChem SID: 162244012; 24873129
• PubChem CID: 5141693

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2297
• LogD (pH = 7.4): 2.2297
• Log P: 2.2297
• Molar Refractivity: 50.0487 cm^3
• Polarizability: 23.036472 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: 0.97 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-17-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H314-H335
• GHS Precautionary statements: P210-P222-P231-P261-P280-P422
• RID/ADR: UN 2056 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
• Empirical Formula (Hill Notation): C10H15BrZn

DETAILS

Sigma Aldrich - 497606

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