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2,4-Dinitro-4'-fluorodiphenyl ether - 95%, high purity , CAS No.1033-02-9

COA

Grade & Purity:

≥95%

Cas Number: 1033-02-9
Molecular Weight: 278.2
PubChem CID: 265715

In stock

Item Number

D178900

Grouped product items
SKU	Size	Availability	Price	Qty
D178900-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
D178900-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90

Basic Description

Synonyms	1-(4-fluorophenoxy)-2,4-dinitrobenzene \| 1033-02-9 \| 2,4-Dinitro-4'-fluorodiphenyl ether \| CHEMBL4784495 \| NSC102046 \| NCIOpen2_006954 \| Oprea1_632546 \| DTXSID20295456 \| BDBM50559483 \| MFCD01046749 \| STK388468 \| AKOS003646277 \| NSC-102046 \| PS-10388 \| CS-0329804
Specifications & Purity	≥95%
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 Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Phenol ether - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-(4-fluorophenoxy)-2,4-dinitrobenzene
INCHI	InChI=1S/C12H7FN2O5/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey	ZKMOMHWTRWMDBT-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F
Isomeric SMILES	C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F
Molecular Weight	278.2
Reaxy-Rn	2061080
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061080&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	278.190 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	278.034 Da
Monoisotopic Mass	278.034 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	362.000
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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