2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-


Chemical Name: 2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-
CAS Number: 53518-15-3
Product Number: AG003NCT(AGN-PC-0JLCBA)
Synonyms:
MDL No: MFCD00006858
Molecular Formula: C10H6F3NO2
Molecular Weight: 229.1553

Identification/Properties


Properties
MP:
221-222 °C(lit.)
BP:
314.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
229.158g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
229.035g/mol
Monoisotopic Mass:
229.035g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
337
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-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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