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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)-

ethyl 3-bromo-2-fluorobenzoate

CCOC(=O)c1cccc(c1F)Br Request for Quotation
Chemical Name: ethyl 3-bromo-2-fluorobenzoate
CAS Number: 334792-76-6
Product Number: AG00CLY0(AGN-PC-01MERY)
Synonyms:
MDL No:
Molecular Formula: C9H8BrFO2
Molecular Weight: 247.0610

Identification/Properties

Properties
BP:
271.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
247.063g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
245.969g/mol
Monoisotopic Mass:
245.969g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 3-bromo-2-fluorobenzoate is a versatile compound widely used in chemical synthesis as a valuable building block. Its unique structure and reactivity make it an essential component in the creation of various organic molecules. In synthesis reactions, this compound can serve as a precursor for the introduction of both fluorine and bromine functional groups into target molecules. Its potential applications extend to pharmaceuticals, agrochemicals, and materials science, where the specific properties conferred by the bromine and fluorine atoms are desired. Additionally, Ethyl 3-bromo-2-fluorobenzoate can be employed in the preparation of complex organic compounds through diverse transformations such as substitution, coupling, and rearrangement reactions. Its role in chemical synthesis underscores its significance as a key intermediate for the development of novel molecules with tailored properties and potential applications in various fields.