CAS Registry Number 39806-90-1
Name:
1H-​Pyrazole, 4-​iodo-​1-​methyl-
1-Methyl-4-iodo-1H-pyrazole
1-Methyl-4-iodopyrazole
4-Iodo-1-methyl-1H-pyrazole
4-Iodo-1-methylpyrazole

Chemical Formula: C4H5IN2
Exact Mass: 207.95
Molecular Weight: 208.00
m/z: 207.95 (100.0%), 208.95 (5.1%)

InChI: InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey: RSDRDHPLXWMTRJ-UHFFFAOYSA-N
Canonical SMILES : CN1C=C(C=N1)I

Specification

98%

1. (1) Liljefors, S.; Chemica Scripta 1980, V15(3), P102-9 CAPLUS
2. (7) Huttel, Rudolf; Justus Liebigs Annalen der Chemie 1955, V593, P200-7 CAPLUS
3. (8) Craig, G. Wayne; Heterocycles 2007, V71(9), P1967-1974 CAPLUS