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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)-

Isothiazole, 4-bromo-3-methyl-

Brc1csnc1C Request for Quotation
Chemical Name: Isothiazole, 4-bromo-3-methyl-
CAS Number: 930-42-7
Product Number: AG006J5P(AGN-PC-03F55W)
Synonyms:
MDL No:
Molecular Formula: C4H4BrNS
Molecular Weight: 178.0503

Identification/Properties

Properties
BP:
106.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
178.047g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
176.925g/mol
Monoisotopic Mass:
176.925g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
68.7
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-3-methylisothiazole is a versatile compound commonly used in chemical synthesis. This compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and reactivity make it a favorable choice for introducing the bromine and methyl functional groups into target molecules.In organic synthesis, 4-Bromo-3-methylisothiazole can be employed as a key intermediate in the preparation of complex molecules with diverse biological activities. Its presence can facilitate the formation of carbon-carbon and carbon-heteroatom bonds through various synthetic transformations such as cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed reactions.Furthermore, the incorporation of 4-Bromo-3-methylisothiazole into a chemical structure can impart desired properties or functionalities to the final product. This compound's presence can influence the pharmacological profile, bioactivity, or stability of the resulting molecules, making it a valuable tool in drug discovery and development.Overall, the application of 4-Bromo-3-methylisothiazole in chemical synthesis plays a crucial role in advancing the field of organic chemistry and expanding the repertoire of available chemical building blocks for creating novel compounds with potential industrial and pharmaceutical applications.