1,2,4-Benzotriazin-3-amine, 1,4-dioxide


Chemical Name: 1,2,4-Benzotriazin-3-amine, 1,4-dioxide
CAS Number: 27314-97-2
Product Number: AG01CBL3(AGN-PC-0O8HW1)
Synonyms:
MDL No:
Molecular Formula: C7H6N4O2
Molecular Weight: 178.1481

Identification/Properties


Properties
MP:
220°C dec.
BP:
493.581°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Solubility:
DMSO: soluble10mg/mL, clear
Computed Properties
Molecular Weight:
178.151g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
178.049g/mol
Monoisotopic Mass:
178.049g/mol
Topological Polar Surface Area:
89.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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