1-Methyl-3-Nitro-1H-Pyrazole
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Product Description
Product
1-Methyl-3-Nitro-1H-Pyrazole
CAS
54210-32-1
Formula
C4H5N3O2
Typical Product Specifications
Molecular weight
127.10
SMILES
c1([N+]([O-])=O)nn(C)cc1
InChI
1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3
InChIKey
KLAQNTBUXCCZHC-UHFFFAOYSA-N
Molecular weight
147.09
EINECS
200-730-1
SMILES
C(N(N=O)C)(N[N+](=O)[O-])=N
InChI
1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
InChIKey
VZUNGTLZRAYYDE-UHFFFAOYSA-N
Atmospheric OH Rate Constant
1.26E-12 cm3/molecule-sec
Melting Point
118 (dec) ° C
Water solubility
2.67E+05 mg/L
log P (octanol-water)
-0.920
Henry's Law Constant
1.22E-12 atm-m3/mole
Vapor Pressure
1.20E-04 mm Hg
Water solubility
Reacts violently
Melting Point
118°C (dec.)
Storage Temperature
0-6°C
Stability
Unstable. Reacts violently with water. May detonate under impact. Heat, light and moisture sensitive. May explode if stored in sealed ampules. Highly flammable. Incompatible with aqueous solutions, acids, bases, oxidizing agents, reducing agents
Merck
6103
Class
1-Methyl-3-Nitro-1H-Pyrazole
Product Description
Product
1-Methyl-3-Nitro-1H-Pyrazole
CAS
54210-32-1
Formula
C4H5N3O2
Typical Product Specifications
Molecular weight
127.10
SMILES
c1([N+]([O-])=O)nn(C)cc1
InChI
1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3
InChIKey
KLAQNTBUXCCZHC-UHFFFAOYSA-N
Molecular weight
147.09
EINECS
200-730-1
SMILES
C(N(N=O)C)(N[N+](=O)[O-])=N
InChI
1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
InChIKey
VZUNGTLZRAYYDE-UHFFFAOYSA-N
Atmospheric OH Rate Constant
1.26E-12 cm3/molecule-sec
Melting Point
118 (dec) ° C
Water solubility
2.67E+05 mg/L
log P (octanol-water)
-0.920
Henry's Law Constant
1.22E-12 atm-m3/mole
Vapor Pressure
1.20E-04 mm Hg
Water solubility
Reacts violently
Melting Point
118°C (dec.)
Storage Temperature
0-6°C
Stability
Unstable. Reacts violently with water. May detonate under impact. Heat, light and moisture sensitive. May explode if stored in sealed ampules. Highly flammable. Incompatible with aqueous solutions, acids, bases, oxidizing agents, reducing agents
Merck
6103
Class
