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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, 2-chloro-4-(trifluoromethyl)-

OC(=O)c1ccc(cc1Cl)C(F)(F)F Request for Quotation
Chemical Name: Benzoic acid, 2-chloro-4-(trifluoromethyl)-
CAS Number: 23228-45-7
Product Number: AG002MLM(AGN-PC-0NG6M3)
Synonyms:
MDL No: MFCD06208178
Molecular Formula: C8H4ClF3O2
Molecular Weight: 224.5644

Identification/Properties

Computed Properties
Molecular Weight:
224.563g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
223.985g/mol
Monoisotopic Mass:
223.985g/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:
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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Chemical Structure


2-Chloro-4-(trifluoromethyl)benzoic acid is a versatile compound commonly employed in chemical synthesis for its valuable applications. In organic chemistry, this compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Due to its unique structure and reactivity, 2-Chloro-4-(trifluoromethyl)benzoic acid is often utilized as a precursor in the synthesis of complex molecules with enhanced biological activities. Its ability to participate in diverse chemical reactions, such as nucleophilic substitutions and transition metal-catalyzed transformations, makes it a valuable tool for synthetic chemists seeking to develop novel compounds with tailored properties. Furthermore, the presence of the chloro and trifluoromethyl groups in its structure imparts specific characteristics to the final products, making it a sought-after reagent in the realm of modern organic synthesis.