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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)-

4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-

Clc1cccc(c1c1noc(c1C(=O)Cl)C)Cl Request for Quotation
Chemical Name: 4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl-
CAS Number: 4462-55-9
Product Number: AG0071IG(AGN-PC-0JLR7S)
Synonyms:
MDL No:
Molecular Formula: C11H6Cl3NO2
Molecular Weight: 290.5298

Identification/Properties

Computed Properties
Molecular Weight:
290.524g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
288.946g/mol
Monoisotopic Mass:
288.946g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
292
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#:
3261
Hazard Statements:
H302-H312-H314-H332
Precautionary Statements:
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride is a versatile building block used in chemical synthesis. Its unique structure makes it particularly valuable in the formation of complex molecules in various fields of chemistry.One important application of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride is its role as a key intermediate in the synthesis of pharmaceutical compounds. By reacting this compound with appropriate reagents and functional groups, chemists can introduce specific chemical moieties that are crucial for the desired biological activity of the final drug product. This enables the efficient construction of new drug candidates or the modification of existing pharmaceutical molecules.Furthermore, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride can also be used in the synthesis of agrochemicals, dyes, and materials with specialized properties. Its carbonylchloride functionality allows for selective reactions with nucleophiles, facilitating the formation of carbon-carbon and carbon-heteroatom bonds. This versatility makes it a valuable tool for chemists seeking to create novel compounds with tailored properties for specific applications.In summary, the compound 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride plays a crucial role in chemical synthesis, particularly in the development of pharmaceuticals and other fine chemicals. Its strategic placement within molecular structures enables precise functionalization, paving the way for the creation of diverse and valuable compounds with potential applications in various industries.