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Dinitrodurene - 97%, high purity , CAS No.5465-13-4

COA

Grade & Purity:

≥97%

Cas Number: 5465-13-4
Molecular Weight: 224.22
MDL number: MFCD00007164
PubChem CID: 79593
PubChem SID: 504755386

In stock

Item Number

D155724

Grouped product items
SKU	Size	Availability	Price
D155724-1g	1g	3	$9.90
D155724-5g	5g	3	$19.90
D155724-25g	25g	2	$73.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC 28984 \| SCHEMBL7592620 \| EINECS 226-766-8 \| 1,4-Dinitro-2,3,5,6-tetramethylbenzene \| PS-10453 \| 3,2,4,5-tetramethylbenzene \| Benzene,2,4,5-tetramethyl-3,6-dinitro- \| DTXSID10203106 \| Dinitrodurene \| 1,2,4,5-Tetramethyl-3,6-dinitrobenzene \| 1,2,4,5-tet
Specifications & Purity	≥97%
Shipped In	Normal

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	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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	504755386
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755386
IUPAC Name	1,2,4,5-tetramethyl-3,6-dinitrobenzene
INCHI	InChI=1S/C10H12N2O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3
InChIKey	AEPQXGFMAZTUEA-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Isomeric SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Molecular Weight	224.22
Reaxy-Rn	1983953
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1983953&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2331341	Certificate of Analysis	Oct 10, 2023	D155724
J2331340	Certificate of Analysis	Oct 10, 2023	D155724
J2331339	Certificate of Analysis	Oct 10, 2023	D155724
J2331342	Certificate of Analysis	Oct 10, 2023	D155724
J2331361	Certificate of Analysis	Oct 10, 2023	D155724
J2331343	Certificate of Analysis	Oct 10, 2023	D155724

Chemical and Physical Properties

Melt Point(°C)	210 °C
Molecular Weight	224.210 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	224.08 Da
Monoisotopic Mass	224.08 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	250.000
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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