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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)-

methyl 5-bromo-4-chloro-2-fluorobenzoate

COC(=O)c1cc(Br)c(cc1F)Cl Request for Quotation
Chemical Name: methyl 5-bromo-4-chloro-2-fluorobenzoate
CAS Number: 951884-02-9
Product Number: AG006PB1(AGN-PC-058CP9)
Synonyms:
MDL No:
Molecular Formula: C8H5BrClFO2
Molecular Weight: 267.4795

Identification/Properties

Properties
MP:
75-77°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
267.478g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
265.915g/mol
Monoisotopic Mass:
265.915g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-bromo-4-chloro-2-fluorobenzoate, also known as $name$, is a versatile compound widely used in chemical synthesis. This particular compound plays a crucial role in the field of organic chemistry due to its unique properties and reactivity.One of the key applications of Methyl 5-bromo-4-chloro-2-fluorobenzoate is as a valuable building block in the synthesis of various pharmaceutical compounds. Its strategic placement of halogen atoms makes it a valuable intermediate in the preparation of biologically active molecules. Through strategic functional group transformations, this compound can be tailored to introduce specific functionalities required for drug development.Furthermore, Methyl 5-bromo-4-chloro-2-fluorobenzoate serves as a vital precursor in the synthesis of agrochemicals and advanced materials. Its versatile reactivity allows for the introduction of fluorine, bromine, and chlorine atoms into complex molecular structures, enabling the creation of custom-designed compounds with desired properties.In conclusion, the application of Methyl 5-bromo-4-chloro-2-fluorobenzoate in chemical synthesis is paramount in the advancement of pharmaceuticals, agrochemicals, and materials science. Its unique structure and reactivity make it an indispensable component in the toolbox of synthetic chemists striving to develop innovative and impactful compounds for various industrial applications.