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17768-34-2

Name 3-Bromo-1-adamantaneacetic acid
CAS 17768-34-2
Molecular Formula C12 H17 Br O2
MDL Number MFCD00154387
Molecular Weight 273.17
MOL File 17768-34-2.mol
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Chemical Properties

Melting point  194-200 °C
Boiling point  373.3±15.0 °C(Predicted)
density  1.556±0.06 g/cm3(Predicted)
form  solid
pka 4.72±0.10(Predicted)
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 Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

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