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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)-

Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-

CC(=O)Nc1c(I)c(N(C(=O)C)C)c(c(c1I)C(=O)O)I Request for Quotation
Chemical Name: Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-
CAS Number: 1949-45-7
Product Number: AG003S4O(AGN-PC-01XNN8)
Synonyms:
MDL No:
Molecular Formula: C12H11I3N2O4
Molecular Weight: 627.9401

Identification/Properties

Properties
MP:
281-282°
BP:
678.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
627.943g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
627.785g/mol
Monoisotopic Mass:
627.785g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
448
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Metrizoate is a versatile compound commonly utilized in chemical synthesis for its unique properties. It acts as a contrast agent in medical imaging procedures, specifically in X-ray examinations and intravenous pyelograms. In addition to its diagnostic applications, Metrizoate serves as an essential reagent in organic chemistry for the synthesis of various organic molecules and pharmaceutical compounds. Its sulfonate group makes it a valuable precursor in the preparation of sulfonamide derivatives, which are important in medicinal chemistry for their antimicrobial and therapeutic properties. Furthermore, Metrizoate's ability to form complexes with metal ions enables its use in coordination chemistry and catalytic processes. Its multifaceted role in chemical synthesis highlights its significance as a key component in diverse research fields, showcasing its potential for further advancements in the realm of science and technology.