1H-Pyrazole, 3-bromo-5-methyl-


Chemical Name: 1H-Pyrazole, 3-bromo-5-methyl-
CAS Number: 57097-81-1
Product Number: AG00EIC7(AGN-PC-0K1Y0Z)
Synonyms:
MDL No:
Molecular Formula: C4H5BrN2
Molecular Weight: 160.9999

Identification/Properties


Properties
MP:
138-139 °C
BP:
270°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
161.002g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
159.964g/mol
Monoisotopic Mass:
159.964g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
66.7
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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