2,3,4-Trifluorobenzoic Acid


Chemical Name: 2,3,4-Trifluorobenzoic Acid
CAS Number: 61079-72-9
Product Number: AG0032X6(AGN-PC-0WA5II)
Synonyms:
MDL No:
Molecular Formula: C7H3F3O2
Molecular Weight: 176.0927

Identification/Properties


Properties
MP:
140-142 °C(lit.)
BP:
245.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1,482
Computed Properties
Molecular Weight:
176.094g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
176.009g/mol
Monoisotopic Mass:
176.009g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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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