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3-Bromo-1-adamantaneacetic acid Structure

3-Bromo-1-adamantaneacetic acid

  • Product Name3-Bromo-1-adamantaneacetic acid
  • CAS17768-34-2
  • CBNumberCB4947792
  • MFC12H17BrO2
  • MW273.17
  • MDL NumberMFCD00154387
  • MOL File17768-34-2.mol

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

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
PPE dust mask type N95 (US), Eyeshields, Gloves
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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