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Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate - 98%, high purity , CAS No.941294-15-1

COA

Grade & Purity:

≥98%

Cas Number: 941294-15-1
Molecular Weight: 312.2
PubChem CID: 26369828

In stock

Item Number

D188444

Grouped product items
SKU	Size	Availability	Price	Qty
D188444-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$412.90

Discover Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate by Aladdin Scientific in 98% for only $412.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	dimethyl 2-(5-methyl-2,4-dinitrophenyl)propanedioate \| BS-23529 \| MFCD09475811 \| Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate \| Dimethyl (5-methyl-2,4-dinitrophenyl)malonate \| AKOS015841897 \| DIMETHYL2-(5-METHYL-2,4-DINITROPHENYL)MALONATE \| DTXSID10649
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Nitrotoluenes
        Level6 Dinitrotoluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Nitrotoluenes
Direct Parent	Dinitrotoluenes
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitrotoluene - Nitrobenzene - Nitroaromatic compound - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
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	dimethyl 2-(5-methyl-2,4-dinitrophenyl)propanedioate
INCHI	InChI=1S/C12H12N2O8/c1-6-4-7(10(11(15)21-2)12(16)22-3)9(14(19)20)5-8(6)13(17)18/h4-5,10H,1-3H3
InChIKey	RYAWZUFEAJRVCR-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C(=O)OC)C(=O)OC
Isomeric SMILES	CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C(=O)OC)C(=O)OC
PubChem CID	26369828
Molecular Weight	312.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	312.059 Da
Monoisotopic Mass	312.059 Da
Topological Polar Surface Area	144.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	453.000
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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