1H-Pyrazole, 3-(3-bromophenyl)-


Chemical Name: 1H-Pyrazole, 3-(3-bromophenyl)-
CAS Number: 149739-65-1
Product Number: AG001LYU(AGN-PC-0O3ZES)
Synonyms:
MDL No:
Molecular Formula: C9H7BrN2
Molecular Weight: 223.0693

Identification/Properties


Properties
MP:
71-75°C
BP:
375.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.073g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
221.979g/mol
Monoisotopic Mass:
221.979g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
152
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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