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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 4-amino-3-chloro-5-(trifluoromethyl)-

OC(=O)c1cc(Cl)c(c(c1)C(F)(F)F)N Request for Quotation
Chemical Name: Benzoic acid, 4-amino-3-chloro-5-(trifluoromethyl)-
CAS Number: 95656-52-3
Product Number: AG00IJBB(AGN-PC-0LEPLI)
Synonyms:
MDL No:
Molecular Formula: C8H5ClF3NO2
Molecular Weight: 239.5790

Identification/Properties

Computed Properties
Molecular Weight:
239.578g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
238.996g/mol
Monoisotopic Mass:
238.996g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
259
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid serves as a versatile building block in chemical synthesis. This organic molecule plays a crucial role in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure enables it to participate in a range of reactions, facilitating the synthesis of complex compounds with specific functionalities. Additionally, its chlorine and trifluoromethyl groups offer opportunities for functional diversification through further derivatization. In the realm of medicinal chemistry, this compound's application extends to the development of novel drug candidates with potential therapeutic benefits. In agrochemical research, its incorporation into active ingredients contributes to the formulation of effective pesticides and herbicides. Furthermore, in materials science, its inclusion in the synthesis of polymers and other materials enhances their properties and performance. By serving as a key intermediate in diverse synthesis pathways, 4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid plays a crucial role in advancing various fields of chemistry and industry.