Benzoic acid, 2-bromo-5-(trifluoromethyl)-


Chemical Name: Benzoic acid, 2-bromo-5-(trifluoromethyl)-
CAS Number: 1483-56-3
Product Number: AG001FLV(AGN-PC-00ONJX)
Synonyms:
MDL No:
Molecular Formula: C8H4BrF3O2
Molecular Weight: 269.0154

Identification/Properties


Properties
MP:
116-117℃
BP:
301°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
269.017g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.935g/mol
Monoisotopic Mass:
267.935g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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-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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