1H-Pyrazole, 1-(1,1-dimethylethyl)-4-nitro-


Chemical Name: 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-nitro-
CAS Number: 97421-12-0
Product Number: AG006CF3(AGN-PC-007G4B)
Synonyms:
MDL No:
Molecular Formula: C7H11N3O2
Molecular Weight: 169.1811

Identification/Properties


Properties
BP:
261.9±13.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
169.184g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
169.085g/mol
Monoisotopic Mass:
169.085g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
182
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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