3-Pyridinecarboxylic acid, 5-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarboxylic acid, 5-(trifluoromethyl)-
CAS Number: 131747-40-5
Product Number: AG000ZNC(AGN-PC-0NDSZI)
Synonyms:
MDL No: MFCD07774128
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.1074

Identification/Properties


Properties
MP:
180 - 182 °C
BP:
277.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.109g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
191.019g/mol
Monoisotopic Mass:
191.019g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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:
H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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