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3-Bromo-1-adamantaneacetic acid Structure

3-Bromo-1-adamantaneacetic acid

Chemical Properties

Melting point 194-200 °C
Boiling point 373.3±15.0 °C(Predicted)
Density  1.556±0.06 g/cm3(Predicted)
pka 4.72±0.10(Predicted)
form  solid
InChI 1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9+,11-,12-
InChIKey HFGLWCBEPPFDDJ-VSKBNFNDSA-N
SMILES OC(=O)C[C@]12C[C@H]3C[C@H](C[C@](Br)(C3)C1)C2

Safety Information

Hazard Codes  Xi
Risk Statements  36
Safety Statements  26
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

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