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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)-

2,1,3-Benzoxadiazole-5-carboxylic acid

OC(=O)c1ccc2c(c1)non2 Request for Quotation
Chemical Name: 2,1,3-Benzoxadiazole-5-carboxylic acid
CAS Number: 19155-88-5
Product Number: AG002FBU(AGN-PC-0KK73Z)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O3
Molecular Weight: 164.1183

Identification/Properties

Properties
MP:
157-160 °C(lit.)
BP:
360°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
164.12g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
164.022g/mol
Monoisotopic Mass:
164.022g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
197
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2,1,3-Benzoxadiazole-5-carboxylic acid is a versatile building block in organic synthesis due to its unique structure and reactivity. It serves as a key intermediate in the preparation of various functionalized benzoxadiazole derivatives, which have shown promising applications in the pharmaceutical and materials science fields. This compound can be readily functionalized at different positions, allowing for the introduction of a wide range of substituents to tailor the properties of the final products. In chemical synthesis, 2,1,3-Benzoxadiazole-5-carboxylic acid can be utilized as a precursor for the synthesis of biologically active compounds, fluorescent dyes, and materials with interesting optoelectronic properties. Its incorporation into complex molecules enhances their stability, solubility, and reactivity, making it a valuable tool for synthetic chemists aiming to design novel and efficient chemical structures.