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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-cyano-3-fluoro-

N#Cc1ccc(cc1F)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-cyano-3-fluoro-
CAS Number: 176508-81-9
Product Number: AG0024QB(AGN-PC-0KKYWS)
Synonyms:
MDL No: MFCD03094324
Molecular Formula: C8H4FNO2
Molecular Weight: 165.1213

Identification/Properties

Properties
MP:
162.0 to 166.0 °C
BP:
335.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
165.123g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
165.023g/mol
Monoisotopic Mass:
165.023g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
233
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Cyano-3-Fluorobenzoic Acid is a versatile chemical compound commonly used in chemical synthesis processes. Its application in organic synthesis is particularly noteworthy, where it serves as a key building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials.One of the primary uses of 4-Cyano-3-Fluorobenzoic Acid is as a precursor in the synthesis of diverse pharmaceutical compounds. By incorporating this compound into different reaction pathways, chemists can modify and enhance the properties of drug molecules, potentially improving their efficacy and bioavailability.Additionally, 4-Cyano-3-Fluorobenzoic Acid plays a crucial role in the creation of agrochemicals, where its unique chemical structure enables the development of pesticides, herbicides, and fungicides. Through strategic modifications and functional group transformations, researchers can tailor the properties of these agricultural chemicals to target specific pests or enhance crop protection.Furthermore, this compound is essential in the synthesis of advanced materials with various industrial applications. By utilizing 4-Cyano-3-Fluorobenzoic Acid as a building block, scientists can design and fabricate functional materials such as polymers, dyes, and liquid crystals, each exhibiting specific properties for specialized uses in electronics, optics, and other fields.