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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)-

4-Chloro-3,5-difluorobenzoic acid

OC(=O)c1cc(F)c(c(c1)F)Cl Request for Quotation
Chemical Name: 4-Chloro-3,5-difluorobenzoic acid
CAS Number: 1160573-19-2
Product Number: AG000BHX(AGN-PC-0WANLT)
Synonyms:
MDL No:
Molecular Formula: C7H3ClF2O2
Molecular Weight: 192.5473

Identification/Properties

Computed Properties
Molecular Weight:
192.546g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
191.979g/mol
Monoisotopic Mass:
191.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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


4-Chloro-3,5-difluorobenzoic acid serves as a versatile building block in chemical synthesis, notably in the pharmaceutical and agrochemical industries. Its unique structure and functional groups make it a valuable intermediate for the production of various compounds through organic reactions. This compound can participate in reactions such as esterification, amidation, and halogenation, leading to the synthesis of more complex structures. Additionally, the presence of fluorine atoms in the molecule can impart desirable properties to the final products, such as improved metabolic stability or enhanced bioactivity. In medicinal chemistry, derivatives of 4-Chloro-3,5-difluorobenzoic acid have been explored for their potential as drug candidates, exhibiting promising biological activities. In agrochemical applications, this compound can be utilized for the synthesis of crop protection agents or herbicides, contributing to the development of innovative agricultural solutions.