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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-(4-nitrophenoxy)-

OC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzoic acid, 4-(4-nitrophenoxy)-
CAS Number: 16309-45-8
Product Number: AG001TPN(AGN-PC-0JPCFA)
Synonyms:
MDL No:
Molecular Formula: C13H9NO5
Molecular Weight: 259.2143

Identification/Properties

Properties
MP:
238-242 °C
BP:
429.3 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
259.217g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
259.048g/mol
Monoisotopic Mass:
259.048g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
324
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:
Danger
UN#:
3077
Hazard Statements:
H302-H317-H400
Precautionary Statements:
P273-P280
Class:
9
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(4-Nitrophenoxy)benzoic acid, also known as NPBA, is commonly used in chemical synthesis as a key building block for the creation of various organic compounds. Its versatile nature allows for its application in a wide range of processes, including the synthesis of pharmaceuticals, agrochemicals, dyes, and polymers. NPBA serves as a starting material in the production of esters, amides, and other derivatives through various chemical reactions such as esterification, amidation, and nucleophilic aromatic substitution. Its aromatic structure and functional groups make it a valuable intermediate in organic synthesis, providing opportunities for the development of new materials and compounds with tailored properties for specific applications.