(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl(bromo)zinc

• ChemBase ID: 148507
• Molecular Formular: C7H11BrZn
• Molecular Mass: 240.44624
• Monoisotopic Mass: 237.93355435
• SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2[Zn]Br
• Canonical SMILES: Br[Zn][C@H]1C[C@H]2C[C@@H]1CC2
• InChI: InChI=1S/C7H11.BrH.Zn/c1-2-7-4-3-6(1)5-7;;/h1,6-7H,2-5H2;1H;/q;;+1/p-1/t6-,7+;;/m0../s1
• InChIKey: KWATZSRCVDAIJT-AUCRBCQYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl(bromo)zinc
• IUPAC Traditional name: (1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl(bromo)zinc
• Synonyms: exo-2-Norbornylzinc bromide solution; 外型-2-降冰片基溴化锌 溶液

Database IDs

• CAS Number: 342029-20-3
• EC Number: 203-726-8
• MDL Number: MFCD01311402
• PubChem SID: 24873250; 162242682
• PubChem CID: 71311342

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9639
• LogD (pH = 7.4): 1.9639
• Log P: 1.9639
• Molar Refractivity: 38.0909 cm^3
• Polarizability: 18.335075 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: 0.976 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: 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
• Empirical Formula (Hill Notation): C7H11BrZn

DETAILS

Sigma Aldrich - 499056

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