Skip to the beginning of the images gallery

4-(4-Nitrophenoxy)benzoic acid - 97%, high purity , CAS No.16309-45-8

COA

Grade & Purity:

≥97%

Cas Number: 16309-45-8
Molecular Weight: 259.21
PubChem CID: 292066
PubChem SID: 504758342

In stock

Item Number

N167720

Grouped product items
SKU	Size	Availability	Price	Qty
N167720-1g	1g	10	$56.90
N167720-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$218.90

Basic Description

Synonyms	4-(4-Nitrophenoxy)benzoic acid \| 16309-45-8 \| Benzoic acid, 4-(4-nitrophenoxy)- \| Benzoic acid,4-(4-nitrophenoxy)- \| NSC157675 \| Cambridge id 5127965 \| Oprea1_486640 \| Oprea1_585248 \| CBDivE_001307 \| 4-(4-Nitrophenoxy)benzoicacid \| SCHEMBL6623045 \| DTXSID90303274 \| XTVBFFGZCMYUJ
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Benzoic acids Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Phenoxy compound - Benzoyl - Nitroaromatic compound - Phenol ether - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504758342
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758342
IUPAC Name	4-(4-nitrophenoxy)benzoic acid
INCHI	InChI=1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
InChIKey	XTVBFFGZCMYUJX-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]
WGK Germany	2
Molecular Weight	259.21
Reaxy-Rn	2622763
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2622763&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
L1805070	Certificate of Analysis	Jul 04, 2024	N167720
L1805071	Certificate of Analysis	Jul 04, 2024	N167720
L2212386	Certificate of Analysis	Dec 29, 2022	N167720

Chemical and Physical Properties

Molecular Weight	259.209 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	259.048 Da
Monoisotopic Mass	259.048 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	324.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration