1,2-Benzenedicarboxylic acid, 4-(trifluoromethyl)-


Chemical Name: 1,2-Benzenedicarboxylic acid, 4-(trifluoromethyl)-
CAS Number: 835-58-5
Product Number: AG003655(AGN-PC-0JTK0C)
Synonyms:
MDL No:
Molecular Formula: C9H5F3O4
Molecular Weight: 234.1288

Identification/Properties


Properties
MP:
151 °C
BP:
350.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
234.13g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
234.014g/mol
Monoisotopic Mass:
234.014g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
300
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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