bis(1,2,4-triazol-1-yl)methanone


Chemical Name: bis(1,2,4-triazol-1-yl)methanone
CAS Number: 41864-22-6
Product Number: AG0032JQ(AGN-PC-0LAD54)
Synonyms:
MDL No: MFCD00043399
Molecular Formula: C5H4N6O
Molecular Weight: 164.1249

Identification/Properties


Properties
MP:
145-150 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
164.128g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
164.045g/mol
Monoisotopic Mass:
164.045g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback