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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, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-

Cc1onc(n1)c1ccc(cc1)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number: 95124-68-8
Product Number: AG003K5E(AGN-PC-0LWSEF)
Synonyms:
MDL No: MFCD06797475
Molecular Formula: C10H8N2O3
Molecular Weight: 204.1821

Identification/Properties

Properties
MP:
262 °C
BP:
405.1±47.0°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
204.185g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.053g/mol
Monoisotopic Mass:
204.053g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is a versatile chemical compound commonly used in chemical synthesis. It serves as a key building block in the creation of various organic molecules due to its unique structural properties.In chemical synthesis, this compound can be utilized as a precursor for the preparation of pharmaceutical intermediates, agrochemicals, and specialty chemicals. Its reactive functional groups allow it to participate in a wide range of synthetic reactions, such as esterification, amidation, and cyclization, enabling the production of complex organic compounds.Furthermore, 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid plays a crucial role in the development of new materials with specific properties. Its incorporation into polymer structures or coordination complexes can lead to the creation of materials with enhanced mechanical, electronic, or optical characteristics.Overall, the application of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid in chemical synthesis opens up opportunities for the design and production of various functional molecules and materials with tailored properties for industrial and research purposes.