1H-Pyrazole-4-sulfonylchloride


Chemical Name: 1H-Pyrazole-4-sulfonylchloride
CAS Number: 438630-64-9
Product Number: AG003EEP(AGN-PC-03U09P)
Synonyms:
MDL No:
Molecular Formula: C3H3ClN2O2S
Molecular Weight: 166.5861

Identification/Properties


Properties
BP:
364.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
166.579g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.96g/mol
Monoisotopic Mass:
165.96g/mol
Topological Polar Surface Area:
71.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
185
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#:
3265
Hazard Statements:
H314
Precautionary Statements:
P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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