29218-27-7

Name Toloxatone
CAS 29218-27-7
EINECS(EC#) 249-522-2
Molecular Formula C11H13NO3
MDL Number MFCD00865391
Molecular Weight 207.23
MOL File 29218-27-7.mol
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Chemical Properties

Melting point  76°
Boiling point  358.9±21.0 °C(Predicted)
density  1.245±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >10mg/mL
form  solid
pka 14.05±0.10(Predicted)
color  White to off-white
InChI 1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
InChIKey MXUNKHLAEDCYJL-UHFFFAOYSA-N
SMILES Cc1cccc(c1)N2CC(CO)OC2=O

Safety Data

Hazard Codes  Xn
Risk Statements 
RIDADR  3249
WGK Germany  3
RTECS  RQ2867500
HazardClass  6.1(b)
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity
LD50 orally in mice (mg/kg): 1850 (Fauran); also reported as 1500 (Raynaud)

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