Benzonitrile, 4-nitro-3-(trifluoromethyl)-


Chemical Name: Benzonitrile, 4-nitro-3-(trifluoromethyl)-
CAS Number: 320-36-5
Product Number: AG003LUT(AGN-PC-001BRL)
Synonyms:
MDL No:
Molecular Formula: C8H3F3N2O2
Molecular Weight: 216.1168

Identification/Properties


Properties
MP:
84-86°C(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
216.119g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
216.015g/mol
Monoisotopic Mass:
216.015g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
301
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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