2-[(6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzonitrile
- Product Name2-[(6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzonitrile
- CAS865758-95-8
- MFC12H8ClN3O2
- MW261.66
- EINECS
- MOL File865758-95-8.mol
Chemical Properties
| Density | 1.48 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Dichloromethane, Ethyl Acetate, Methanol |
| form | Solid |
| pka | 8.11±0.40(Predicted) |
| color | White |
| InChI | InChI=1S/C12H8ClN3O2/c13-10-5-11(17)15-12(18)16(10)7-9-4-2-1-3-8(9)6-14/h1-5H,7H2,(H,15,17,18) |
| InChIKey | JASGBRKRMPRRTD-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC=C1CN1C(=O)NC(=O)C=C1Cl |