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CAS Number: 42098-25-9
5-chloro-1-methyl-4-nitro-1H-pyrazole

Structure

5-chloro-1-methyl-4-nitro-1H-pyrazole
Name: 5-chloro-1-methyl-4-nitro-1H-pyrazole
Synonyms:
General Information
Product Number: 42098259
CAS Registry Number:
42098-25-9
Name:
1H-Pyrazole, 5-chloro-1-methyl-4-nitro-
5-Chloro-1-methyl-4-nitro-1H-pyrazole; 5-Chloro-1-methyl-4-nitropyrazole 
 
Chemical Formula: C4H4ClN3O2
Exact Mass: 161.00
Molecular Weight: 161.55
m/z: 161.00 (100.0%), 163.00 (32.4%), 162.00 (5.5%), 164.00 (1.4%)
Elemental Analysis: C, 29.74; H, 2.50; Cl, 21.95; N, 26.01; O, 19.81
 
InChI: InChI=1S/C4H4ClN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3
InChIKey: POXLZEWCWNUVDW-UHFFFAOYSA-N
Canonical SMILES : CN1C(=C(C=N1)[N+](=O)[O-])Cl
 
Thermal Properties Value Condition Note
Melting Point 135-137 °C   (1)IC
Melting Point 59-60 °C Solv: heptane (142-82-5) (2)IC

Specification

98%

References
  1. (1) Yamamoto, Susumu; JP 62148482 A 1987 CAPLUS
  2. (2) Ferguson, Ian J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1977, (6), P672-5 CAPLUS
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