Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

865758-96-9

Name 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
CAS 865758-96-9
EINECS(EC#) 695-742-0
Molecular Formula C13H10ClN3O2
MDL Number MFCD11558902
Molecular Weight 275.69
MOL File 865758-96-9.mol

Chemical Properties

Melting point  162-164°C
Boiling point  418.0±55.0 °C(Predicted)
density  1.44
storage temp.  2-8°C
solubility  DMSO (Soluble, Sonicated), Methanol (Slightly, Heated, Sonicated)
form  Solid
pka -3.65±0.40(Predicted)
color  White to Off-White
InChI InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3
InChIKey BVUJISIVAHYNLI-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC=C1CN1C(=O)N(C)C(=O)C=C1Cl

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

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