1H-Pyrazole, 4-bromo-1-methyl-


Chemical Name: 1H-Pyrazole, 4-bromo-1-methyl-
CAS Number: 15803-02-8
Product Number: AG001PXR(AGN-PC-07H7WL)
Synonyms:
MDL No: MFCD02179565
Molecular Formula: C4H5BrN2
Molecular Weight: 160.9999

Identification/Properties


Properties
MP:
77 - 79 °C
BP:
185-188°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.531
Computed Properties
Molecular Weight:
161.002g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
159.964g/mol
Monoisotopic Mass:
159.964g/mol
Topological Polar Surface Area:
17.8A^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:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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