252186-78-0

Name 5-DesaMino 5-Oxo-2,5-dihydro LaMotrigine
CAS 252186-78-0
Molecular Formula C9H6Cl2N4O
MDL Number MFCD18803573
Molecular Weight 257.08
MOL File 252186-78-0.mol
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Chemical Properties

Boiling point  412.1±55.0 °C(Predicted)
density  1.74±0.1 g/cm3(Predicted)
solubility  Aqueous Base (Slightly), DMSO (Slightly), Methanol (Very Slightly)
form  neat
pka 8.61±0.70(Predicted)
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChI InChI=1S/C9H6Cl2N4O/c10-5-3-1-2-4(6(5)11)7-8(16)13-9(12)15-14-7/h1-3H,(H3,12,13,15,16)
InChIKey OVNGWOHWYFBGKF-UHFFFAOYSA-N
SMILES N1=C(C2=CC=CC(Cl)=C2Cl)C(=O)N=C(N)N1

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  WGK 3
HS Code  2933690000
Storage Class 11 - Combustible Solids

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