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(E)-Ethyl 4-Nitrocinnamate - >98.0%(GC), high purity , CAS No.24393-61-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 24393-61-1
Molecular Weight: 221.21
MDL number: MFCD00007380
PubChem CID: 1268038

In stock

Item Number

E404783

Grouped product items
SKU	Size	Availability	Price
E404783-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$34.90
E404783-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
E404783-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$395.90

Basic Description

Synonyms	Ethyl 4-nitrocinnamate \| 953-26-4 \| Ethyl p-nitrocinnamate \| 24393-61-1 \| 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester \| Cinnamic acid, p-nitro-, ethyl ester \| ethyl (2E)-3-(4-nitrophenyl)acrylate \| Ethyl 3-(4-nitrophenyl)acrylate \| ethyl (E)-3-(4-nitrophenyl)prop-2
Specifications & Purity	≥98%(GC)

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 Styrenes Nitroaromatic compounds Fatty acid esters Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - Nitrobenzene - Nitroaromatic compound - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - 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

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	ethyl (E)-3-(4-nitrophenyl)prop-2-enoate
INCHI	InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
InChIKey	PFBQVGXIMLXCQB-VMPITWQZSA-N
Smiles	CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
Molecular Weight	221.21
Reaxy-Rn	2052533
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052533&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
H2419591	Certificate of Analysis	Apr 13, 2024	E404783

Chemical and Physical Properties

Melt Point(°C)	138 °C
Molecular Weight	221.210 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	221.069 Da
Monoisotopic Mass	221.069 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	274.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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