Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-


Chemical Name: Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-
CAS Number: 654-76-2
Product Number: AG006Q5D(AGN-PC-0JL93Y)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO3
Molecular Weight: 221.1333

Identification/Properties


Properties
MP:
79-81 °C(lit.)
BP:
267.2 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
221.135g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
221.03g/mol
Monoisotopic Mass:
221.03g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
238
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#:
1759
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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