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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)-

Phenol, 4-bromochloro-

Brc1ccc(c(c1)Cl)O Request for Quotation
Chemical Name: Phenol, 4-bromochloro-
CAS Number: 3964-56-5
Product Number: AG0033X9(AGN-PC-0JKEXS)
Synonyms:
MDL No:
Molecular Formula: C6H4BrClO
Molecular Weight: 207.4524

Identification/Properties

Properties
MP:
47-49 °C(lit.)
BP:
232-235°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5859
Computed Properties
Molecular Weight:
207.451g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
205.913g/mol
Monoisotopic Mass:
205.913g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.1
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-Bromo-2-chlorophenol is a versatile chemical compound commonly used in chemical synthesis due to its unique properties and reactivity. This compound serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. It is particularly valued for its ability to participate in a range of substitution and coupling reactions, making it a valuable building block in organic synthesis.In the field of medicinal chemistry, 4-Bromo-2-chlorophenol is utilized in the synthesis of biologically active compounds such as anti-bacterial, anti-fungal, and anti-inflammatory agents. Its structural characteristics allow for the introduction of specific functional groups that can enhance the desired pharmacological properties of the final products. Furthermore, its presence can impart desirable physicochemical properties to the target molecules, influencing factors such as solubility, stability, and bioavailability.In agrochemical synthesis, 4-Bromo-2-chlorophenol finds application in the development of crop protection agents and herbicides. By incorporating this compound into the molecular structure of agrochemicals, researchers can design products with improved efficacy, selectivity, and environmental compatibility. The reactivity of 4-Bromo-2-chlorophenol enables the modification of target molecules to optimize their performance in agricultural applications while minimizing potential adverse effects on non-target organisms.Overall, the versatility of 4-Bromo-2-chlorophenol in chemical synthesis makes it a valuable tool for researchers and chemists seeking to design and develop novel compounds for pharmaceutical, agricultural, and industrial applications. Its role as a key building block allows for the efficient and strategic construction of complex molecules with tailored properties and functionalities, laying the foundation for advancements in various fields of science and technology.