1H-Pyrazole, 3-phenyl-


Chemical Name: 1H-Pyrazole, 3-phenyl-
CAS Number: 2458-26-6
Product Number: AG00BC38(AGN-PC-0O87CU)
Synonyms:
MDL No:
Molecular Formula: C9H8N2
Molecular Weight: 144.1732

Identification/Properties


Properties
MP:
75-77 °C
BP:
339.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5960 (estimate)
Computed Properties
Molecular Weight:
144.177g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
144.069g/mol
Monoisotopic Mass:
144.069g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
119
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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