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1,3-Diethyl 2-[(2-nitrophenyl)methylidene]propanedioate - 95%, high purity , CAS No.17422-56-9

COA

Grade & Purity:

≥95%

Cas Number: 17422-56-9
Molecular Weight: 293.3
PubChem CID: 231460

In stock

Item Number

D182103

Grouped product items
SKU	Size	Availability	Price	Qty
D182103-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$547.90
D182103-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,264.90

Discover 1,3-Diethyl 2-[(2-nitrophenyl)methylidene]propanedioate by Aladdin Scientific in 95% for only $547.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	17422-56-9 \| Diethyl 2-(2-nitrobenzylidene)malonate \| 1,3-Diethyl 2-[(2-nitrophenyl)methylidene]-propanedioate \| 1,3-diethyl 2-[(2-nitrophenyl)methylidene]propanedioate \| diethyl 2-[(2-nitrophenyl)methylidene]propanedioate \| NSC637166 \| diethyl 2-nitrobenzylidenemalo
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acid esters

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid esters
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Fatty acid esters Dicarboxylic acids and derivatives Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
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	diethyl 2-[(2-nitrophenyl)methylidene]propanedioate
INCHI	InChI=1S/C14H15NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-9H,3-4H2,1-2H3
InChIKey	BLHLIGAACQEKRY-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC
Isomeric SMILES	CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC
Molecular Weight	293.3
Reaxy-Rn	2510035
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2510035&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	293.270 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	293.09 Da
Monoisotopic Mass	293.09 Da
Topological Polar Surface Area	98.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	406.000
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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