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Buparvaquone Structure

Buparvaquone

Chemical Properties

Melting point 178-184°C
Boiling point 460.7±45.0 °C(Predicted)
Density  1.158±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO: soluble
form  powder
pka 5.04±0.10(Predicted)
color  Yellow
InChI InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,24H,8-12H2,1-3H3
InChIKey KLLIVCPQDTYMLC-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(=O)C(O)=C1CC1CCC(C(C)(C)C)CC1
CAS DataBase Reference 88426-33-9(CAS DataBase Reference)
FDA UNII 0354RT7LG4

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H400-H410-H319-H335-H315
Precautionary statements P273-P391-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany  3
RTECS  QJ5766600
Toxicity LD50 orally in rats: >2 g/kg (Hudson)
NFPA 704:
0
2 0

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