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2,4-DINITROPHENETOLE - 97%, high purity , CAS No.610-54-8

COA

Grade & Purity:

≥97%

Cas Number: 610-54-8
Molecular Weight: 212.163
MDL number: MFCD00024224
PubChem CID: 11887
PubChem SID: 504752215

In stock

Item Number

D171162

Grouped product items
SKU	Size	Availability	Price
D171162-1g	1g	3	$17.90
D171162-5g	5g	3	$65.90
D171162-25g	25g	3	$253.90

Basic Description

Synonyms	NSC6227 \| NSC-6227 \| InChI=1/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3 \| SCHEMBL1984504 \| Tetrahydrofurfurylbenzoate \| 2,4-Dinitrophenetol \| BS-22807 \| Phenetole,4-dinitro- \| AKOS000414636 \| YSOKMOXAGMIZFZ-UHFFFAOYSA- \| MFCD00024224 \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors	C-nitro compound - aromatic ether
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	504752215
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752215
IUPAC Name	1-ethoxy-2,4-dinitrobenzene
INCHI	InChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3
InChIKey	YSOKMOXAGMIZFZ-UHFFFAOYSA-N
Smiles	CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Molecular Weight	212.163
Reaxy-Rn	1884582
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884582&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
B2303338	Certificate of Analysis	Nov 07, 2022	D171162
B2303333	Certificate of Analysis	Nov 07, 2022	D171162
B2303337	Certificate of Analysis	Nov 07, 2022	D171162

Chemical and Physical Properties

Boil Point(°C)	211 °C/15 mmHg
Melt Point(°C)	84-87°C
Molecular Weight	212.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	212.043 Da
Monoisotopic Mass	212.043 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246.000
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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