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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, 3-nitro-4-(trifluoromethyl)-

[O-][N+](=O)c1cc(ccc1C(F)(F)F)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 3-nitro-4-(trifluoromethyl)-
CAS Number: 116965-16-3
Product Number: AG000DFZ(AGN-PC-0KKZA6)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NO4
Molecular Weight: 235.1169

Identification/Properties

Computed Properties
Molecular Weight:
235.118g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
235.009g/mol
Monoisotopic Mass:
235.009g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
299
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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Chemical Structure


3-Nitro-4-(trifluoromethyl)benzoic Acid is a valuable compound widely used in the field of chemical synthesis. One of its key applications is as a versatile building block in the synthesis of organic molecules. Due to its unique structure and reactivity, this compound serves as a crucial intermediate in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group provides enhanced chemical stability and promotes desirable physicochemical properties in the final products. Moreover, the presence of the nitro group allows for facile manipulation of the molecule's electronic properties, making it a valuable tool for fine-tuning the reactivity and selectivity of chemical transformations. In summary, the strategic incorporation of 3-Nitro-4-(trifluoromethyl)benzoic Acid in chemical synthesis enables efficient access to diverse functionalized compounds with tailored properties for a broad range of applications.