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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)-

Benzene-1,2,4,5-d4, 3,6-di(methyl-d3)-

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Chemical Name: Benzene-1,2,4,5-d4, 3,6-di(methyl-d3)-
CAS Number: 41051-88-1
Product Number: AG003U1N(AGN-PC-0RPSFB)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Properties
MP:
13℃
Storage:
Room Temperature;Keep in dry area;
Form:
Liquid
Computed Properties
Molecular Weight:
116.229g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
116.141g/mol
Monoisotopic Mass:
116.141g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
48.4
Isotope Atom Count:
10
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


3,6-Di(methyl-d3)benzene-1,2,4,5-d4, also known as deuterated p-xylene, is a valuable compound utilized in various chemical synthesis processes. Its unique isotopic composition, with deuterium atoms replacing some of the hydrogen atoms in the molecule, offers distinct advantages in certain reactions.Firstly, deuterated p-xylene can be employed as a precursor in the synthesis of labeled organic compounds. By utilizing this deuterated derivative, chemists can introduce specific isotopic labels into target molecules for tracking purposes in research studies. This is particularly useful in fields such as pharmaceutical research, where isotope labeling is essential for studying metabolic pathways and drug interactions.Additionally, deuterated p-xylene is a useful starting material for the production of deuterated aromatic compounds. Its structural composition allows for the incorporation of deuterium atoms into various positions of the aromatic ring, enabling the synthesis of specifically labeled molecules. This is crucial in medicinal chemistry for developing deuterium-containing drugs, as deuterium substitution can enhance drug stability, efficacy, and pharmacokinetic properties.Furthermore, deuterated p-xylene serves as a valuable tool in NMR spectroscopy experiments. Its unique isotopic labeling pattern offers enhanced resolution and sensitivity in NMR analysis, providing valuable structural information about complex organic molecules. This makes it an essential reagent for researchers studying chemical structure and dynamics at the molecular level.Overall, 3,6-Di(methyl-d3)benzene-1,2,4,5-d4 plays a pivotal role in chemical synthesis, enabling precise isotopic labeling, facilitating the production of deuterated compounds, and enhancing NMR spectroscopy applications in various research fields.