1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-


Chemical Name: 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-
CAS Number: 104206-65-7
Product Number: AG003ESK(AGN-PC-0JLJZ3)
Synonyms:
MDL No:
Molecular Formula: C14H10F3NO5
Molecular Weight: 329.2281

Identification/Properties


Properties
MP:
129-131°C
BP:
486.2°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Solubility:
DMSO: ≥5mg/mL
Computed Properties
Molecular Weight:
329.231g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
329.051g/mol
Monoisotopic Mass:
329.051g/mol
Topological Polar Surface Area:
97A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
524
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#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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