1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-,hexafluorophosphate(1-), 3-oxide


Chemical Name: 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-,hexafluorophosphate(1-), 3-oxide
CAS Number: 94790-37-1
Product Number: AG0035F7(AGN-PC-0W4EB8)
Synonyms:
MDL No:
Molecular Formula: C11H16F6N5OP
Molecular Weight: 379.2418

Identification/Properties


Properties
MP:
200- 202 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
acetonitrile: 0.1 g/mL, clear
Computed Properties
Molecular Weight:
379.247g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
3
Exact Mass:
379.1g/mol
Monoisotopic Mass:
379.1g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
350
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P302+P352-P337+P313-P304+P340-P312-P280-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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