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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)-

2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-

OC(=O)C=Cc1ccc(c(c1)Br)F Request for Quotation
Chemical Name: 2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-
CAS Number: 160434-49-1
Product Number: AG001RWG(AGN-PC-094J2P)
Synonyms:
MDL No:
Molecular Formula: C9H6BrFO2
Molecular Weight: 245.0451

Identification/Properties

Properties
MP:
189-192 °C
BP:
337.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4240 (estimate)
Computed Properties
Molecular Weight:
245.047g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
243.954g/mol
Monoisotopic Mass:
243.954g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338-P302+P352-P321-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Bromo-4-fluorocinnamic acid is a versatile compound widely used in chemical synthesis for its unique structural properties and reactivity. In organic chemistry, it serves as a key building block for the synthesis of various pharmaceuticals, agrochemicals, and functional materials. With its bromine and fluorine substituents, this compound plays a crucial role in the modification of organic molecules, allowing for the introduction of specific functionalities and enhancing biological activity. Additionally, 3-Bromo-4-fluorocinnamic acid is utilized in the preparation of novel organic compounds through various reactions such as Suzuki coupling, Heck reaction, and Sonogashira coupling. Its ability to undergo selective transformations makes it a valuable tool for the creation of diverse chemical structures with tailored properties. By incorporating 3-Bromo-4-fluorocinnamic acid into synthetic routes, chemists can efficiently access a wide range of organic intermediates and final products with potential applications in the pharmaceutical, materials science, and agrochemical industries.