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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)-

1,2-Benzene-3,4,5,6-d4-dicarboxylicacid, bis(2-methylpropyl) ester (9CI)

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Chemical Name: 1,2-Benzene-3,4,5,6-d4-dicarboxylicacid, bis(2-methylpropyl) ester (9CI)
CAS Number: 358730-88-8
Product Number: AG00BY16(AGN-PC-0RBCDL)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
282.372g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
282.177g/mol
Monoisotopic Mass:
282.177g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
290
Isotope Atom Count:
4
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


Diisobutyl phthalate-3,4,5,6-d4, also known as DIBP-d4, serves as an essential isotopically labeled compound in chemical synthesis processes. This deuterated derivative of diisobutyl phthalate is particularly valuable in various chemical reactions and research studies due to its unique isotopic composition. When incorporated into synthetic pathways, Diisobutyl phthalate-3,4,5,6-d4 facilitates the tracking and elucidation of reaction mechanisms, kinetic studies, and the characterization of various compounds. Its isotopic labeling allows for precise analysis using techniques such as NMR spectroscopy, mass spectrometry, and chromatography, providing valuable insights into complex chemical transformations and structures. In addition, Diisobutyl phthalate-3,4,5,6-d4 finds applications in the development of pharmaceuticals, materials science, and other fields where detailed isotopic analysis and tracing are crucial for advancing research and development efforts.