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Ethyl 2-(2-nitrophenoxy)propanoate , CAS No.13212-56-1

Ethyl 2-(2-nitrophenoxy)propanoate , CAS No.13212-56-1

Name: Ethyl 2-(2-nitrophenoxy)propanoate , CAS No.13212-56-1
SKU: E1339232
Availability: InStock

CAS: 13212-56-1 Cat. No.: E1339232 Fórmula: C₁₁H₁₃NO₅ Peso molecular: 239.227 PubChem CID: 292529

COA

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Storage

Room temperature

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Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condições de armazenamento de armazenamento

Room temperature

Enviado em

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Nomes e identificadores

Sorrisos canónicos	CCOC(=O)C(C)OC1=CC=CC=C1[N+](=O)[O-]
IUPAC Name	ethyl 2-(2-nitrophenoxy)propanoate
InChIKey	NYBPNCZBAGRYQA-UHFFFAOYSA-N
INCHI	1S/C11H13NO5/c1-3-16-11(13)8(2)17-10-7-5-4-6-9(10)12(14)15/h4-8H,3H2,1-2H3
SMILES isoméricas	CCOC(=O)C(C)OC1=CC=CC=C1[N+](=O)[O-]
PubChem CID	292529
Peso molecular	239.227

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass 2-phenoxypropionic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	2-phenoxypropionic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	2-phenoxypropionic acid esters
Alternative Parents	Phenoxyacetic acid derivatives Nitrophenyl ethers Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid 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	2-phenoxypropionic acid ester - Nitrophenyl ether - Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	239.220 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	239.079 Da
Monoisotopic Mass	239.079 Da
Topological Polar Surface Area	81.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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Revisões

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