CAS Registry Number: 14080-34-3

Name:

Pyrimidine, 2-​methyl-​5-​nitro-
2-​Methyl-​5-​nitropyrimidine 

Chemical Formula: C5H5N3O2
Exact Mass: 139.04
Molecular Weight: 139.11
m/z: 139.04 (100.0%), 140.04 (6.6%)
Elemental Analysis: C, 43.17; H, 3.62; N, 30.21; O, 23.00

InChI: InChI=1S/C5H5N3O2/c1-4-6-2-5(3-7-4)8(9)10/h2-3H,1H3
InChIKey: NLGWYOYUTYUEQT-UHFFFAOYSA-N
Canonical SMILES : CC1=NC=C(C=N1)[N+](=O)[O-]

Specification

98%

1. (1) Fanta, Paul E.; Journal of the American Chemical Society 1956, V78, P1434-7 CAPLUS
2. (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
3. (3) Van der Plas, Henk C.; Journal of Organic Chemistry 1983, V48(8), P1354-7 CAPLUS