1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)-


Chemical Name: 1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)-
CAS Number: 887144-94-7
Product Number: AG0036A7(AGN-PC-04SLGL)
Synonyms:
MDL No:
Molecular Formula: C8H4F3IO2
Molecular Weight: 316.0158

Identification/Properties


Properties
MP:
150-158 °C
Storage:
Inert atmosphere;Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
316.018g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
315.921g/mol
Monoisotopic Mass:
315.921g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
254
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:
Danger
UN#:
1325
Hazard Statements:
H315-H319-H228
Precautionary Statements:
P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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