1,2,3-Benzotriazin-4(1H)-one


Chemical Name: 1,2,3-Benzotriazin-4(1H)-one
CAS Number: 90-16-4
Product Number: AG003IHI(AGN-PC-0JK7V5)
Synonyms:
MDL No:
Molecular Formula: C7H5N3O
Molecular Weight: 147.1341

Identification/Properties


Properties
MP:
216-218 °C(lit.)
BP:
282℃
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Solubility:
Soluble in most organic solvents.
Computed Properties
Molecular Weight:
147.137g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
147.043g/mol
Monoisotopic Mass:
147.043g/mol
Topological Polar Surface Area:
53.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
202
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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