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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-nitro-2-(trifluoromethyl)-

[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-nitro-2-(trifluoromethyl)-
CAS Number: 320-37-6
Product Number: AG003LUJ(AGN-PC-0KL1V4)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NO4
Molecular Weight: 235.1169

Identification/Properties

Properties
MP:
138-142 °C(lit.)
BP:
321.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
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-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Nitro-2-(trifluoromethyl)benzoic acid, also known as $name$, serves as a versatile building block in chemical synthesis due to its unique molecular structure. This compound is widely utilized as a key intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group imparts enhanced chemical stability and lipophilicity to the resulting products, making it an attractive candidate in medicinal chemistry for developing potent drug candidates with improved pharmacokinetic properties. In addition, the nitro group on the aromatic ring can undergo various transformations, such as reduction or substitution reactions, allowing for further functionalization and diversification of the molecular scaffold. These features make $name$ a valuable tool for the synthesis of novel compounds with tailored properties and applications in a range of industries.