1H-Pyrazole, 3-(4-chlorophenyl)-


Chemical Name: 1H-Pyrazole, 3-(4-chlorophenyl)-
CAS Number: 59843-58-2
Product Number: AG00IAM9(AGN-PC-0OCZLE)
Synonyms:
MDL No:
Molecular Formula: C9H7ClN2
Molecular Weight: 178.6183

Identification/Properties


Properties
MP:
80 °C
BP:
366.4 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.619g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
178.03g/mol
Monoisotopic Mass:
178.03g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
144
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-H318-H411
Precautionary Statements:
P273-P280-P301+P310-P305+P351+P338-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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