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Bis(2,4-dinitrophenyl) oxalate - 98%, high purity , CAS No.16536-30-4

COA

Grade & Purity:

≥98%

Cas Number: 16536-30-4
Molecular Weight: 422.22
Beilstein Registry Number: 2318321
MDL number: MFCD00010712
PubChem CID: 3080704

In stock

Item Number

B120830

Grouped product items
SKU	Size	Availability	Price	Qty
B120830-250mg	250mg	1	$34.90
B120830-1g	1g	1	$95.90

View related series

Chemiluminescence Reagent (3) Nucleic Acid Detection Substrates and Reagents (1) Oxalates (1) Spectroscopic reagent (233)

Basic Description

Synonyms	DNPO \| Oxalic acid bis(2,4-dinitrophenyl) ester \| 2,4-Dinitrophenyl oxalate
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Bis(2,4-dinitrophenyl) oxalate (DNPO) is a chemiluminescence reagent. Chemiluminescence produced in the oxidation of DNPO by hydrogen peroxide in the presence of a polycyclic aromatic hydrocarbon was monitored by spectroscopic methods. The kinetics of the imidazole-catalyzed decomposition of DNPO was investigated by the stopped-flow technique. Application： Bis(2,4-dinitrophenyl) oxalate was used in detection of fluorescent compound dansylalanine in buffer solution by flow injection analys

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenol esters Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Dicarboxylic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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

IUPAC Name	bis(2,4-dinitrophenyl) oxalate
INCHI	InChI=1S/C14H6N4O12/c19-13(29-11-3-1-7(15(21)22)5-9(11)17(25)26)14(20)30-12-4-2-8(16(23)24)6-10(12)18(27)28/h1-6H
InChIKey	CBZOGAWUNMFXFQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
WGK Germany	3
Molecular Weight	422.22
Beilstein	2318321
Reaxy-Rn	2318321
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2318321&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
D2402112	Certificate of Analysis	Mar 25, 2024	B120830
D2402115	Certificate of Analysis	Mar 25, 2024	B120830
D2402113	Certificate of Analysis	Mar 25, 2024	B120830
D2402114	Certificate of Analysis	Mar 25, 2024	B120830

Chemical and Physical Properties

Solubility	Soluble in Benzene,Toluene
Sensitivity	light ＆Moisture sensitive
Melt Point(°C)	189-190°C
Molecular Weight	422.220 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	421.998 Da
Monoisotopic Mass	421.998 Da
Topological Polar Surface Area	236.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	673.000
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

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