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CAS Number: 6814-58-0
3-chloro-5-methyl-4-nitro-1H-pyrazole

Structure

 3-chloro-5-methyl-4-nitro-1H-pyrazole
Name: 3-chloro-5-methyl-4-nitro-1H-pyrazole
Synonyms:
General Information
Product Number: 6814580

CAS Registry Number 6814-58-0
Name:
1H-?Pyrazole, 3-?chloro-?5-?methyl-?4-?nitro-
Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro- (7CI)
3-Chloro-5-methyl-4-nitro-1H-pyrazole
5-Chloro-3-methyl-4-nitro-1H-pyrazole
ABG 3030
CMN-Pyrazole

 

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%)

 

InChI:InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)

InChI Key:ZCHRCALASPNJEQ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=NN1)Cl)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 114 °C   (2)CAS
Melting Point 112 °C   (3)CAS
Melting Point 111 °C   (4)SRC

Specification

98%
References
  1. (2) Stein, Robert George; US 3282954 1966 CAPLUS
  2. (3) Musante, Carlo; Gazzetta Chimica Italiana 1946, V76, P297-305 CAPLUS
  3. (4) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
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