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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)-

Benzenepropanoic acid, 3,4-difluoro-

OC(=O)CCc1ccc(c(c1)F)F Request for Quotation
Chemical Name: Benzenepropanoic acid, 3,4-difluoro-
CAS Number: 161712-75-0
Product Number: AG001VU1(AGN-PC-0KKZ9R)
Synonyms:
MDL No:
Molecular Formula: C9H8F2O2
Molecular Weight: 186.1554

Identification/Properties

Properties
MP:
49-53 °C(lit.)
BP:
277.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.158g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
186.049g/mol
Monoisotopic Mass:
186.049g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(3,4-Difluorophenyl)propanoic acid plays a crucial role in chemical synthesis as a versatile building block for creating a wide range of organic compounds. Its unique structure containing a difluorophenyl group and a propanoic acid moiety allows for various functionalization reactions, enabling the formation of complex molecules with specific properties.In organic synthesis, 3-(3,4-Difluorophenyl)propanoic acid can be utilized as a key intermediate in the production of pharmaceuticals, agrochemicals, and materials with desired properties. Its functional groups provide multiple points for derivatization, facilitating the modification of the molecule to tailor its reactivity and properties for specific applications.Furthermore, the presence of the difluorophenyl group in 3-(3,4-Difluorophenyl)propanoic acid enhances the compound's electronic and steric properties, making it valuable for introducing fluorine-containing motifs into target molecules. This can lead to improved bioactivity, stability, or other desired characteristics in the final products synthesized using this compound.