Benzoic acid, 4-nitro-2-(trifluoromethyl)-


Chemical Name: Benzoic acid, 4-nitro-2-(trifluoromethyl)-
CAS Number: 320-37-6
Product Number: AG003LUJ(AGN-PC-0KL1V4)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NO4
Molecular Weight: 235.1169

Identification/Properties


Properties
MP:
138-142 °C(lit.)
BP:
321.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
235.118g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
235.009g/mol
Monoisotopic Mass:
235.009g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
299
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:
H302-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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